5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid

C20H24N2O4S — CID 17377650

IUPAC5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid
SMILESCCc1c(C)sc(NC(=O)CCCC(=O)O)c1C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-3-15-13(2)27-20(22-16(23)10-7-11-17(24)25)18(15)19(26)21-12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyKCQRKIKKAFZQKN-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.74
Rot. Bonds9

About 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid

5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid (PubChem CID 17377650) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid
PubChem CID17377650
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid
SMILESCCc1c(C)sc(NC(=O)CCCC(=O)O)c1C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O4S/c1-3-15-13(2)27-20(22-16(23)10-7-11-17(24)25)18(15)19(26)21-12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyKCQRKIKKAFZQKN-UHFFFAOYSA-N
XLogP3.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-benzamidobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 55362819
5-[[(6R)-6-methyl-3-[(4-methylphenyl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid
CID 27526484
5-oxo-5-[[3-(pyridin-3-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]pentanoic acid
CID 17379597
4-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid
CID 6465710
propan-2-yl 4-ethyl-2-[[5-[(4-ethyl-5-methyl-3-propan-2-yloxycarbonylthiophen-2-yl)amino]-5-oxopentanoyl]amino]-5-methylthiophene-3-carboxylate
CID 5144166
ethyl 4-ethyl-5-methyl-2-[(2-phenylmethoxyacetyl)amino]thiophene-3-carboxylate
CID 55360356
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
CID 3610658
3-[[4-ethyl-5-methyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17377468
ethyl 5-acetamido-4-(benzylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 126118149
4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid
CID 843835
5-[[(6S)-3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-5-oxopentanoic acid
CID 40573906

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid (CID 17377650) is 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid is CCc1c(C)sc(NC(=O)CCCC(=O)O)c1C(=O)NCc1ccccc1.
What is the InChIKey of 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is KCQRKIKKAFZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-15-13(2)27-20(22-16(23)10-7-11-17(24)25)18(15)19(26)21-12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25).
What are the key properties of 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid?
5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 388.49 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(benzylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 17377650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).