5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid

C19H21NO5S — CID 17378873

IUPAC5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid
SMILESCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CCCC(=O)O
InChIInChI=1S/C19H21NO5S/c1-11-7-8-13(12(2)9-11)14-10-26-18(17(14)19(24)25-3)20-15(21)5-4-6-16(22)23/h7-10H,4-6H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyJUEQCFHMZIICFI-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.01
Rot. Bonds7

About 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid

5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid (PubChem CID 17378873) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid
PubChem CID17378873
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid
SMILESCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CCCC(=O)O
InChIInChI=1S/C19H21NO5S/c1-11-7-8-13(12(2)9-11)14-10-26-18(17(14)19(24)25-3)20-15(21)5-4-6-16(22)23/h7-10H,4-6H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyJUEQCFHMZIICFI-UHFFFAOYSA-N
XLogP4.01
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-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

4-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoate
CID 4748172
methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 19199946
ethyl 4-(2,4-dimethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate
CID 19220251
ethyl 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
CID 19218314
4-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 40573892
methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 2241891
ethyl 4-(2,4-dimethylphenyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 19217938
methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate
CID 19199677
ethyl 4-(2,4-dimethylphenyl)-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 35569953
methyl 4-(4-bromophenyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 2241885
ethyl 4-(2,4-dimethylphenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 19212856
methyl 4-(4-fluorophenyl)-2-(pentanoylamino)thiophene-3-carboxylate
CID 5076598

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid (CID 17378873) is 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid is COC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is JUEQCFHMZIICFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-11-7-8-13(12(2)9-11)14-10-26-18(17(14)19(24)25-3)20-15(21)5-4-6-16(22)23/h7-10H,4-6H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid?
5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 375.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 17378873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).