5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid

C95H99N7O26S6 — CID 162048560

IUPAC5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CC(C)(C)CC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CSCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2nccnc2C(=O)O)s1
InChIInChI=1S/C21H25NO5S.C20H17N3O5S.C18H19NO6S.C18H19NO5S2.C18H19NO5S/c1-5-15-10-16(19(26)13-6-8-14(27-4)9-7-13)20(28-15)22-17(23)11-21(2,3)12-18(24)25;1-3-13-10-14(17(24)11-4-6-12(28-2)7-5-11)19(29-13)23-18(25)15-16(20(26)27)22-9-8-21-15;2*1-3-13-8-14(17(23)11-4-6-12(24-2)7-5-11)18(26-13)19-15(20)9-25-10-16(21)22;1-3-13-10-14(17(23)11-4-6-12(24-2)7-5-11)18(25-13)19-15(20)8-9-16(21)22/h6-10H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);4-10H,3H2,1-2H3,(H,23,25)(H,26,27);2*4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22);4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYYFWNEWVTAZBGO-UHFFFAOYSA-N
MW1947.26 g/mol
LogP16.92
Rot. Bonds42

About 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid

5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 162048560) has the molecular formula C95H99N7O26S6 and a molecular weight of 1947.26 g/mol. Its IUPAC name is 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID162048560
Molecular FormulaC95H99N7O26S6
Molecular Weight1947.26 g/mol
Exact Mass1945.50
IUPAC Name5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CC(C)(C)CC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CSCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2nccnc2C(=O)O)s1
InChIInChI=1S/C21H25NO5S.C20H17N3O5S.C18H19NO6S.C18H19NO5S2.C18H19NO5S/c1-5-15-10-16(19(26)13-6-8-14(27-4)9-7-13)20(28-15)22-17(23)11-21(2,3)12-18(24)25;1-3-13-10-14(17(24)11-4-6-12(28-2)7-5-11)19(29-13)23-18(25)15-16(20(26)27)22-9-8-21-15;2*1-3-13-8-14(17(23)11-4-6-12(24-2)7-5-11)18(26-13)19-15(20)9-25-10-16(21)22;1-3-13-10-14(17(23)11-4-6-12(24-2)7-5-11)18(25-13)19-15(20)8-9-16(21)22/h6-10H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);4-10H,3H2,1-2H3,(H,23,25)(H,26,27);2*4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22);4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYYFWNEWVTAZBGO-UHFFFAOYSA-N
XLogP16.92
TPSA498.51 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001947.26
LogP ≤ 516.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-phenoxyacetamide
CID 2814367
5-[[3-(4-chlorobenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;ethane
CID 143691538
5-[[3-(3,4-dichlorobenzoyl)-5-ethylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;2-[2-[[3-(3,4-dichlorobenzoyl)-5-ethylthiophen-2-yl]amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 87719544
2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 59233518
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-methoxybenzamide
CID 2814381
2-[2-[[5-ethyl-3-[4-[4-(fluoromethyl)phenyl]benzoyl]thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 69193124
2-[4-[[5-ethyl-3-[4-(trifluoromethoxy)benzoyl]thiophen-2-yl]amino]-2-methyl-4-oxobutyl]sulfanylacetic acid
CID 69186188
2-[2-[[5-ethyl-3-[3-(trifluoromethoxy)benzoyl]thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 59233522
2-[2-[[3-(1-benzofuran-2-carbonyl)-5-ethylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;2-[4-[2-[[5-methyl-3-[4-(trifluoromethoxy)benzoyl]thiophen-2-yl]amino]-2-oxoethyl]sulfanylphenoxy]acetic acid
CID 158282692
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 7195031
5-ethyl-2-[(3-methylpyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615147
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63615629

Frequently Asked Questions

What is the IUPAC name of 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid (CID 162048560) is 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CC(C)(C)CC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)COCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CSCC(=O)O)s1.CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)c2nccnc2C(=O)O)s1.
What is the InChIKey of 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is YYFWNEWVTAZBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5S.C20H17N3O5S.C18H19NO6S.C18H19NO5S2.C18H19NO5S/c1-5-15-10-16(19(26)13-6-8-14(27-4)9-7-13)20(28-15)22-17(23)11-21(2,3)12-18(24)25;1-3-13-10-14(17(24)11-4-6-12(28-2)7-5-11)19(29-13)23-18(25)15-16(20(26)27)22-9-8-21-15;2*1-3-13-8-14(17(23)11-4-6-12(24-2)7-5-11)18(26-13)19-15(20)9-25-10-16(21)22;1-3-13-10-14(17(23)11-4-6-12(24-2)7-5-11)18(25-13)19-15(20)8-9-16(21)22/h6-10H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);4-10H,3H2,1-2H3,(H,23,25)(H,26,27);2*4-8H,3,9-10H2,1-2H3,(H,19,20)(H,21,22);4-7,10H,3,8-9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 1947.26 g/mol, XLogP of 16.92, 42 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid;4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethoxy]acetic acid;2-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid;3-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 162048560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).