2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide

C17H20N2O2S2 — CID 7847408

IUPAC2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C17H20N2O2S2/c1-17(2,3)11-4-6-12(7-5-11)23-10-14(20)19-16-13(15(18)21)8-9-22-16/h4-9H,10H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyQQGUQNQHDOIYOO-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.88
Rot. Bonds5

About 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 7847408) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID7847408
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C17H20N2O2S2/c1-17(2,3)11-4-6-12(7-5-11)23-10-14(20)19-16-13(15(18)21)8-9-22-16/h4-9H,10H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyQQGUQNQHDOIYOO-UHFFFAOYSA-N
XLogP3.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]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-[[2-(4-amino-3-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 79130151
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2606705
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 5219477
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2103495
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 7254924
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 3557766
methyl N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-3-carbonyl]carbamate
CID 41320632
(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142180

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide (CID 7847408) is 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide is CC(C)(C)c1ccc(SCC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is QQGUQNQHDOIYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-17(2,3)11-4-6-12(7-5-11)23-10-14(20)19-16-13(15(18)21)8-9-22-16/h4-9H,10H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 7847408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).