2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide

C15H16N2O2S2 — CID 2498614

IUPAC2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
SMILESCc1ccccc1CSCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C15H16N2O2S2/c1-10-4-2-3-5-11(10)8-20-9-13(18)17-15-12(14(16)19)6-7-21-15/h2-7H,8-9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyBEAFEHIGBWMLOR-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.03
Rot. Bonds6

About 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 2498614) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
PubChem CID2498614
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
SMILESCc1ccccc1CSCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C15H16N2O2S2/c1-10-4-2-3-5-11(10)8-20-9-13(18)17-15-12(14(16)19)6-7-21-15/h2-7H,8-9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyBEAFEHIGBWMLOR-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide 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-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983006
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095
(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142180
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704814
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2103495
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide (CID 2498614) is 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide is Cc1ccccc1CSCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is BEAFEHIGBWMLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-10-4-2-3-5-11(10)8-20-9-13(18)17-15-12(14(16)19)6-7-21-15/h2-7H,8-9H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2498614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).