5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid

C15H15NO3S2 — CID 43474328

IUPAC5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1ccc(CSCC(=O)Nc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO3S2/c1-10-2-4-11(5-3-10)8-20-9-13(17)16-14-7-6-12(21-14)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyOTEWIENJEWYSRU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.63
Rot. Bonds6

About 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid

5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43474328) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43474328
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1ccc(CSCC(=O)Nc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C15H15NO3S2/c1-10-2-4-11(5-3-10)8-20-9-13(17)16-14-7-6-12(21-14)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyOTEWIENJEWYSRU-UHFFFAOYSA-N
XLogP3.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic 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

5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474533
5-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43474487
4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 2239528
methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103683
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16545610
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 7920080
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43474650
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-[(4-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 18270309

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid (CID 43474328) is 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid is Cc1ccc(CSCC(=O)Nc2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is OTEWIENJEWYSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-10-2-4-11(5-3-10)8-20-9-13(17)16-14-7-6-12(21-14)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid?
5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).