2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid

C14H14N2O3S — CID 79325577

IUPAC2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCSc1ccc(NC(=O)c2cccn2CC(=O)O)cc1
InChIInChI=1S/C14H14N2O3S/c1-20-11-6-4-10(5-7-11)15-14(19)12-3-2-8-16(12)9-13(17)18/h2-8H,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyUGKDYJZQCWPYQK-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.55
Rot. Bonds5

About 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325577) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325577
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCSc1ccc(NC(=O)c2cccn2CC(=O)O)cc1
InChIInChI=1S/C14H14N2O3S/c1-20-11-6-4-10(5-7-11)15-14(19)12-3-2-8-16(12)9-13(17)18/h2-8H,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyUGKDYJZQCWPYQK-UHFFFAOYSA-N
XLogP2.55
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic 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

2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005
2-[2-[[4-(dimethylamino)phenyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79321914
2-[2-[(3-bromo-4-fluorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104780407
2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325438
2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79325142
2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79321753
2-[2-[(2,6-dibromophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107602497
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
3-(4-methylsulfanylanilino)-3-oxopropanoic acid
CID 62230727
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325577) is 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid is CSc1ccc(NC(=O)c2cccn2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is UGKDYJZQCWPYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-20-11-6-4-10(5-7-11)15-14(19)12-3-2-8-16(12)9-13(17)18/h2-8H,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).