2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

C15H14ClN3OS2 — CID 17426486

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14ClN3OS2/c1-19(8-10-6-7-13(16)22-10)14(20)9-21-15-17-11-4-2-3-5-12(11)18-15/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyOSTNHYQAPHNGJE-UHFFFAOYSA-N
MW351.88 g/mol
LogP4.03
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 17426486) has the molecular formula C15H14ClN3OS2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID17426486
Molecular FormulaC15H14ClN3OS2
Molecular Weight351.88 g/mol
Exact Mass351.03
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14ClN3OS2/c1-19(8-10-6-7-13(16)22-10)14(20)9-21-15-17-11-4-2-3-5-12(11)18-15/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyOSTNHYQAPHNGJE-UHFFFAOYSA-N
XLogP4.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 37207871
N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 24633818
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
CID 24528477
N-[(5-chlorothiophen-2-yl)methyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 51320888
2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 17440826
2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656471
N-(1H-benzimidazol-2-ylmethyl)-4-(5-chlorothiophen-2-yl)-N-methyl-4-oxobutanamide
CID 36518894
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 42328405
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 21179427
N-[(5-chlorothiophen-2-yl)methyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 55547104
2-(5-amino-2-chlorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 79127346

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (CID 17426486) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is OSTNHYQAPHNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS2/c1-19(8-10-6-7-13(16)22-10)14(20)9-21-15-17-11-4-2-3-5-12(11)18-15/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 351.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 17426486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).