1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C149H160F2N20O24S9 — CID 157320216

IUPAC1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2c(F)cccc12.Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc12.Cc1ccc2c(c1)cc(C(=O)NCc1ccc(S(=O)(=O)N3CCCC3)cc1)n2C.Cc1cccn2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)nc12.Cc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2c1CN=C2.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C22H26N4O3S2.C22H25N3O3S.C22H23N3O3S.C22H24N2O3S.C21H21FN2O5S.C20H19FN2O4S2.C20H22N4O3S/c1-14-19-15(2)24-16(3)25-22(19)30-20(14)21(27)23-13-17-7-9-18(10-8-17)31(28,29)26-11-5-4-6-12-26;1-16-5-10-20-18(13-16)14-21(24(20)2)22(26)23-15-17-6-8-19(9-7-17)29(27,28)25-11-3-4-12-25;1-16-14-21(24-20-7-3-2-6-19(16)20)22(26)23-15-17-8-10-18(11-9-17)29(27,28)25-12-4-5-13-25;25-22(20-6-4-5-18-15-23-16-21(18)20)12-9-17-7-10-19(11-8-17)28(26,27)24-13-2-1-3-14-24;1-14-17-3-2-4-18(22)20(17)29-19(14)21(25)23-13-15-5-7-16(8-6-15)30(26,27)24-9-11-28-12-10-24;21-16-3-6-18-15(11-16)12-19(28-18)20(24)22-13-14-1-4-17(5-2-14)29(25,26)23-7-9-27-10-8-23;1-15-5-4-10-23-14-18(22-19(15)23)20(25)21-13-16-6-8-17(9-7-16)28(26,27)24-11-2-3-12-24/h7-10H,4-6,11-13H2,1-3H3,(H,23,27);5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,23,26);2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,26);4-8,10-11,15H,1-3,9,12-14,16H2;2-8H,9-13H2,1H3,(H,23,25);1-6,11-12H,7-10,13H2,(H,22,24);4-10,14H,2-3,11-13H2,1H3,(H,21,25)
InChIKeyBEBOKACEFOZGCS-UHFFFAOYSA-N
MW2941.63 g/mol
LogP21.97
Rot. Bonds36

About 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 157320216) has the molecular formula C149H160F2N20O24S9 and a molecular weight of 2941.63 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID157320216
Molecular FormulaC149H160F2N20O24S9
Molecular Weight2941.63 g/mol
Exact Mass2938.94
IUPAC Name1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2c(F)cccc12.Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc12.Cc1ccc2c(c1)cc(C(=O)NCc1ccc(S(=O)(=O)N3CCCC3)cc1)n2C.Cc1cccn2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)nc12.Cc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2c1CN=C2.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C22H26N4O3S2.C22H25N3O3S.C22H23N3O3S.C22H24N2O3S.C21H21FN2O5S.C20H19FN2O4S2.C20H22N4O3S/c1-14-19-15(2)24-16(3)25-22(19)30-20(14)21(27)23-13-17-7-9-18(10-8-17)31(28,29)26-11-5-4-6-12-26;1-16-5-10-20-18(13-16)14-21(24(20)2)22(26)23-15-17-6-8-19(9-7-17)29(27,28)25-11-3-4-12-25;1-16-14-21(24-20-7-3-2-6-19(16)20)22(26)23-15-17-8-10-18(11-9-17)29(27,28)25-12-4-5-13-25;25-22(20-6-4-5-18-15-23-16-21(18)20)12-9-17-7-10-19(11-8-17)28(26,27)24-13-2-1-3-14-24;1-14-17-3-2-4-18(22)20(17)29-19(14)21(25)23-13-15-5-7-16(8-6-15)30(26,27)24-9-11-28-12-10-24;21-16-3-6-18-15(11-16)12-19(28-18)20(24)22-13-14-1-4-17(5-2-14)29(25,26)23-7-9-27-10-8-23;1-15-5-4-10-23-14-18(22-19(15)23)20(25)21-13-16-6-8-17(9-7-16)28(26,27)24-11-2-3-12-24/h7-10H,4-6,11-13H2,1-3H3,(H,23,27);5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,23,26);2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,26);4-8,10-11,15H,1-3,9,12-14,16H2;2-8H,9-13H2,1H3,(H,23,25);1-6,11-12H,7-10,13H2,(H,22,24);4-10,14H,2-3,11-13H2,1H3,(H,21,25)
InChIKeyBEBOKACEFOZGCS-UHFFFAOYSA-N
XLogP21.97
TPSA558.19 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002941.63
LogP ≤ 521.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

CID 158905190
CID 158905190
N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[5-(3-fluoro-5-methylphenyl)sulfinyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[5-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 161346497
2-cyclopropyl-N-(5-fluoro-4,8-dimethyl-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-(difluoromethyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)phenyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[6-(furan-2-yl)-3-pyridinyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-4-propan-2-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157171687
1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 157274568
7-(5-methylfuran-2-yl)-3-(2-oxo-1-pyridinyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-3-pyrazin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methylthiophen-2-yl)-3-(2-oxo-1-pyridinyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methylthiophen-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 157602431
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157937506
3-chloro-6-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(2,7-dimethylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide;3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-quinolin-8-ylpropan-1-one
CID 158017747
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[3,2-c]pyridine-2-carboxamide
CID 158645729
5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 159408749
2,6-dimethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;4-fluoro-3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(1-methylindol-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;7-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoxaline-6-carboxamide
CID 159849755
N-[[5-[4-(1-methylpyrazol-4-yl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(1-methylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(4-morpholin-4-ylphenyl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[5-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(4-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(4-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 160478697
CID 160817711
CID 160817711

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 157320216) is 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2c(F)cccc12.Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc12.Cc1ccc2c(c1)cc(C(=O)NCc1ccc(S(=O)(=O)N3CCCC3)cc1)n2C.Cc1cccn2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)nc12.Cc1nc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2n1.O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc2c1CN=C2.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BEBOKACEFOZGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S2.C22H25N3O3S.C22H23N3O3S.C22H24N2O3S.C21H21FN2O5S.C20H19FN2O4S2.C20H22N4O3S/c1-14-19-15(2)24-16(3)25-22(19)30-20(14)21(27)23-13-17-7-9-18(10-8-17)31(28,29)26-11-5-4-6-12-26;1-16-5-10-20-18(13-16)14-21(24(20)2)22(26)23-15-17-6-8-19(9-7-17)29(27,28)25-11-3-4-12-25;1-16-14-21(24-20-7-3-2-6-19(16)20)22(26)23-15-17-8-10-18(11-9-17)29(27,28)25-12-4-5-13-25;25-22(20-6-4-5-18-15-23-16-21(18)20)12-9-17-7-10-19(11-8-17)28(26,27)24-13-2-1-3-14-24;1-14-17-3-2-4-18(22)20(17)29-19(14)21(25)23-13-15-5-7-16(8-6-15)30(26,27)24-9-11-28-12-10-24;21-16-3-6-18-15(11-16)12-19(28-18)20(24)22-13-14-1-4-17(5-2-14)29(25,26)23-7-9-27-10-8-23;1-15-5-4-10-23-14-18(22-19(15)23)20(25)21-13-16-6-8-17(9-7-16)28(26,27)24-11-2-3-12-24/h7-10H,4-6,11-13H2,1-3H3,(H,23,27);5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,23,26);2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,26);4-8,10-11,15H,1-3,9,12-14,16H2;2-8H,9-13H2,1H3,(H,23,25);1-6,11-12H,7-10,13H2,(H,22,24);4-10,14H,2-3,11-13H2,1H3,(H,21,25).
What are the key properties of 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2941.63 g/mol, XLogP of 21.97, 36 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 157320216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).