2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid

C155H135Cl3F9N19O25S10 — CID 159982219

IUPAC2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
SMILESC.CCn1ccc(-c2scc(NC(=O)CCc3ccccc3)c2C(=O)O)n1.CCn1ccc(-c2scc(NC(=O)c3cccc(C)c3)c2C(=O)O)n1.COC(=O)c1c(NC(=O)c2ccc(C)cc2)csc1Cn1nc(C)cc1C(F)(F)F.Cc1cccc(C(=O)Cc2csc(-c3ccc(C)s3)c2C(=O)O)c1.Cc1cccc(C(=O)Cc2csc(-c3nc(C)cs3)c2C(=O)O)c1.Cn1nc(C(F)(F)F)cc1-c1scc(NC(=O)CCc2c(Cl)cccc2Cl)c1C(=O)O.Cn1nc(C(F)(F)F)cc1-c1scc(NC(=O)OCc2ccccc2)c1C(=O)O.O=C(CCc1ccccc1)Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O
InChIInChI=1S/C23H18ClN3O3S.C20H18F3N3O3S.C19H14Cl2F3N3O3S.C19H19N3O3S.C19H16O3S2.C18H14F3N3O4S.C18H17N3O3S.C18H15NO3S2.CH4/c24-17-7-9-18(10-8-17)27-13-16(12-25-27)22-21(23(29)30)19(14-31-22)26-20(28)11-6-15-4-2-1-3-5-15;1-11-4-6-13(7-5-11)18(27)24-14-10-30-15(17(14)19(28)29-3)9-26-16(20(21,22)23)8-12(2)25-26;1-27-13(7-14(26-27)19(22,23)24)17-16(18(29)30)12(8-31-17)25-15(28)6-5-9-10(20)3-2-4-11(9)21;1-2-22-11-10-14(21-22)18-17(19(24)25)15(12-26-18)20-16(23)9-8-13-6-4-3-5-7-13;1-11-4-3-5-13(8-11)15(20)9-14-10-23-18(17(14)19(21)22)16-7-6-12(2)24-16;1-24-12(7-13(23-24)18(19,20)21)15-14(16(25)26)11(9-29-15)22-17(27)28-8-10-5-3-2-4-6-10;1-3-21-8-7-13(20-21)16-15(18(23)24)14(10-25-16)19-17(22)12-6-4-5-11(2)9-12;1-10-4-3-5-12(6-10)14(20)7-13-9-23-16(15(13)18(21)22)17-19-11(2)8-24-17;/h1-5,7-10,12-14H,6,11H2,(H,26,28)(H,29,30);4-8,10H,9H2,1-3H3,(H,24,27);2-4,7-8H,5-6H2,1H3,(H,25,28)(H,29,30);3-7,10-12H,2,8-9H2,1H3,(H,20,23)(H,24,25);3-8,10H,9H2,1-2H3,(H,21,22);2-7,9H,8H2,1H3,(H,22,27)(H,25,26);4-10H,3H2,1-2H3,(H,19,22)(H,23,24);3-6,8-9H,7H2,1-2H3,(H,21,22);1H4
InChIKeyOFXKPYJZBGYLPA-UHFFFAOYSA-N
MW3261.90 g/mol
LogP38.81
Rot. Bonds45

About 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid

2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid (PubChem CID 159982219) has the molecular formula C155H135Cl3F9N19O25S10 and a molecular weight of 3261.90 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
PubChem CID159982219
Molecular FormulaC155H135Cl3F9N19O25S10
Molecular Weight3261.90 g/mol
Exact Mass3257.60
IUPAC Name2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
SMILESC.CCn1ccc(-c2scc(NC(=O)CCc3ccccc3)c2C(=O)O)n1.CCn1ccc(-c2scc(NC(=O)c3cccc(C)c3)c2C(=O)O)n1.COC(=O)c1c(NC(=O)c2ccc(C)cc2)csc1Cn1nc(C)cc1C(F)(F)F.Cc1cccc(C(=O)Cc2csc(-c3ccc(C)s3)c2C(=O)O)c1.Cc1cccc(C(=O)Cc2csc(-c3nc(C)cs3)c2C(=O)O)c1.Cn1nc(C(F)(F)F)cc1-c1scc(NC(=O)CCc2c(Cl)cccc2Cl)c1C(=O)O.Cn1nc(C(F)(F)F)cc1-c1scc(NC(=O)OCc2ccccc2)c1C(=O)O.O=C(CCc1ccccc1)Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O
InChIInChI=1S/C23H18ClN3O3S.C20H18F3N3O3S.C19H14Cl2F3N3O3S.C19H19N3O3S.C19H16O3S2.C18H14F3N3O4S.C18H17N3O3S.C18H15NO3S2.CH4/c24-17-7-9-18(10-8-17)27-13-16(12-25-27)22-21(23(29)30)19(14-31-22)26-20(28)11-6-15-4-2-1-3-5-15;1-11-4-6-13(7-5-11)18(27)24-14-10-30-15(17(14)19(28)29-3)9-26-16(20(21,22)23)8-12(2)25-26;1-27-13(7-14(26-27)19(22,23)24)17-16(18(29)30)12(8-31-17)25-15(28)6-5-9-10(20)3-2-4-11(9)21;1-2-22-11-10-14(21-22)18-17(19(24)25)15(12-26-18)20-16(23)9-8-13-6-4-3-5-7-13;1-11-4-3-5-13(8-11)15(20)9-14-10-23-18(17(14)19(21)22)16-7-6-12(2)24-16;1-24-12(7-13(23-24)18(19,20)21)15-14(16(25)26)11(9-29-15)22-17(27)28-8-10-5-3-2-4-6-10;1-3-21-8-7-13(20-21)16-15(18(23)24)14(10-25-16)19-17(22)12-6-4-5-11(2)9-12;1-10-4-3-5-12(6-10)14(20)7-13-9-23-16(15(13)18(21)22)17-19-11(2)8-24-17;/h1-5,7-10,12-14H,6,11H2,(H,26,28)(H,29,30);4-8,10H,9H2,1-3H3,(H,24,27);2-4,7-8H,5-6H2,1H3,(H,25,28)(H,29,30);3-7,10-12H,2,8-9H2,1H3,(H,20,23)(H,24,25);3-8,10H,9H2,1-2H3,(H,21,22);2-7,9H,8H2,1H3,(H,22,27)(H,25,26);4-10H,3H2,1-2H3,(H,19,22)(H,23,24);3-6,8-9H,7H2,1-2H3,(H,21,22);1H4
InChIKeyOFXKPYJZBGYLPA-UHFFFAOYSA-N
XLogP38.81
TPSA625.18 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds45
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003261.90
LogP ≤ 538.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid with MolForge

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Related Compounds

2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-thiophen-2-ylthiophene-3-carboxylic acid;2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
CID 157722986
4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;2-[3-(2,6-dichlorophenyl)propanoylamino]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylic acid;4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;4-(1-ethylpyrazol-3-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;methyl 2-[(4-methylbenzoyl)amino]-4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate
CID 157850184
4-(1-Ethylpyrazol-3-yl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;2-[2-(3-methylphenyl)-2-oxoethyl]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;2-[2-(3-methylphenyl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
CID 157993167
4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;2-[3-(2,6-dichlorophenyl)propanoylamino]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylic acid;4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;5-(1-ethylpyrazol-3-yl)-2-[(3-methylbenzoyl)amino]cyclopenta-1,4-diene-1-carboxylic acid;methyl 2-[(4-methylbenzoyl)amino]-4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate
CID 159206382
4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;2-[3-(2,6-dichlorophenyl)propanoylamino]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylic acid;4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;4-(1-ethylpyrazol-3-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;methyl 2-[(4-methylbenzoyl)amino]-4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydrothiophene-3-carboxylate
CID 161308970
4-Benzamido-2-(5-methylfuran-2-yl)thiophene-3-carboxylic acid;tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylate;4-[(2-chlorobenzoyl)amino]-2-thiophen-2-ylthiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;4-[2-(4-fluorophenyl)-2-oxoethyl]-2-(1,3-oxazol-2-yl)thiophene-3-carboxylic acid;4-[(4-methylbenzoyl)amino]-2-thiophen-2-ylthiophene-3-carboxylic acid
CID 160606602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid (CID 159982219) is 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid is C.CCn1ccc(-c2scc(NC(=O)CCc3ccccc3)c2C(=O)O)n1.CCn1ccc(-c2scc(NC(=O)c3cccc(C)c3)c2C(=O)O)n1.COC(=O)c1c(NC(=O)c2ccc(C)cc2)csc1Cn1nc(C)cc1C(F)(F)F.Cc1cccc(C(=O)Cc2csc(-c3ccc(C)s3)c2C(=O)O)c1.Cc1cccc(C(=O)Cc2csc(-c3nc(C)cs3)c2C(=O)O)c1.Cn1nc(C(F)(F)F)cc1-c1scc(NC(=O)CCc2c(Cl)cccc2Cl)c1C(=O)O.Cn1nc(C(F)(F)F)cc1-c1scc(NC(=O)OCc2ccccc2)c1C(=O)O.O=C(CCc1ccccc1)Nc1csc(-c2cnn(-c3ccc(Cl)cc3)c2)c1C(=O)O.
What is the InChIKey of 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid?
The InChIKey is OFXKPYJZBGYLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S.C20H18F3N3O3S.C19H14Cl2F3N3O3S.C19H19N3O3S.C19H16O3S2.C18H14F3N3O4S.C18H17N3O3S.C18H15NO3S2.CH4/c24-17-7-9-18(10-8-17)27-13-16(12-25-27)22-21(23(29)30)19(14-31-22)26-20(28)11-6-15-4-2-1-3-5-15;1-11-4-6-13(7-5-11)18(27)24-14-10-30-15(17(14)19(28)29-3)9-26-16(20(21,22)23)8-12(2)25-26;1-27-13(7-14(26-27)19(22,23)24)17-16(18(29)30)12(8-31-17)25-15(28)6-5-9-10(20)3-2-4-11(9)21;1-2-22-11-10-14(21-22)18-17(19(24)25)15(12-26-18)20-16(23)9-8-13-6-4-3-5-7-13;1-11-4-3-5-13(8-11)15(20)9-14-10-23-18(17(14)19(21)22)16-7-6-12(2)24-16;1-24-12(7-13(23-24)18(19,20)21)15-14(16(25)26)11(9-29-15)22-17(27)28-8-10-5-3-2-4-6-10;1-3-21-8-7-13(20-21)16-15(18(23)24)14(10-25-16)19-17(22)12-6-4-5-11(2)9-12;1-10-4-3-5-12(6-10)14(20)7-13-9-23-16(15(13)18(21)22)17-19-11(2)8-24-17;/h1-5,7-10,12-14H,6,11H2,(H,26,28)(H,29,30);4-8,10H,9H2,1-3H3,(H,24,27);2-4,7-8H,5-6H2,1H3,(H,25,28)(H,29,30);3-7,10-12H,2,8-9H2,1H3,(H,20,23)(H,24,25);3-8,10H,9H2,1-2H3,(H,21,22);2-7,9H,8H2,1H3,(H,22,27)(H,25,26);4-10H,3H2,1-2H3,(H,19,22)(H,23,24);3-6,8-9H,7H2,1-2H3,(H,21,22);1H4.
What are the key properties of 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid?
2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid has a molecular weight of 3261.90 g/mol, XLogP of 38.81, 45 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;4-[3-(2,6-dichlorophenyl)propanoylamino]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(1-ethylpyrazol-3-yl)-4-(3-phenylpropanoylamino)thiophene-3-carboxylic acid;methane;methyl 4-[(4-methylbenzoyl)amino]-2-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-3-carboxylate;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;4-[2-(3-methylphenyl)-2-oxoethyl]-2-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 159982219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).