2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide

C15H13ClN4O2S2 — CID 47046613

IUPAC2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN4O2S2/c1-20-11-3-2-8(16)6-10(11)18-15(20)24-7-12(21)19-14-9(13(17)22)4-5-23-14/h2-6H,7H2,1H3,(H2,17,22)(H,19,21)
InChIKeyKXFIKLTXTUVTHD-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.12
Rot. Bonds5

About 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 47046613) has the molecular formula C15H13ClN4O2S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID47046613
Molecular FormulaC15H13ClN4O2S2
Molecular Weight380.88 g/mol
Exact Mass380.02
IUPAC Name2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2cc(Cl)ccc21
InChIInChI=1S/C15H13ClN4O2S2/c1-20-11-3-2-8(16)6-10(11)18-15(20)24-7-12(21)19-14-9(13(17)22)4-5-23-14/h2-6H,7H2,1H3,(H2,17,22)(H,19,21)
InChIKeyKXFIKLTXTUVTHD-UHFFFAOYSA-N
XLogP3.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)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-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 16502325
2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4238642
N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 47046624
2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 35789892
N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 52644614
2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 9329687
2-[[2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4843784
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 47046616
methyl 2-[[2-[[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 19731555
2-[[2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4813749
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55772019
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43027460

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide (CID 47046613) is 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide is Cn1c(SCC(=O)Nc2sccc2C(N)=O)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is KXFIKLTXTUVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S2/c1-20-11-3-2-8(16)6-10(11)18-15(20)24-7-12(21)19-14-9(13(17)22)4-5-23-14/h2-6H,7H2,1H3,(H2,17,22)(H,19,21).
What are the key properties of 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 47046613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).