2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid

C14H19NO4S — CID 119253768

IUPAC2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(=O)c1csc(C(=O)NCC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C14H19NO4S/c1-8(2)4-10(14(18)19)6-15-13(17)12-5-11(7-20-12)9(3)16/h5,7-8,10H,4,6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyFNOONGDBSANPPD-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.43
Rot. Bonds7

About 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid

2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 119253768) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
PubChem CID119253768
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCC(=O)c1csc(C(=O)NCC(CC(C)C)C(=O)O)c1
InChIInChI=1S/C14H19NO4S/c1-8(2)4-10(14(18)19)6-15-13(17)12-5-11(7-20-12)9(3)16/h5,7-8,10H,4,6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyFNOONGDBSANPPD-UHFFFAOYSA-N
XLogP2.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic 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

(2R)-2-[(4-acetylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 119364770
2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232308
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
CID 119253199
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
CID 119405170
4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429860
4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide
CID 119640021
2-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 119253434
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
4-acetyl-N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 97228132
2-[[3-(4-chlorothiophen-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253210
2-[[(2-bromo-5-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 81110372

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid (CID 119253768) is 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid is CC(=O)c1csc(C(=O)NCC(CC(C)C)C(=O)O)c1.
What is the InChIKey of 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is FNOONGDBSANPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-8(2)4-10(14(18)19)6-15-13(17)12-5-11(7-20-12)9(3)16/h5,7-8,10H,4,6H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid?
2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119253768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).