N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide

C16H14ClF2N3OS2 — CID 24633818

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2n1C(F)F
InChIInChI=1S/C16H14ClF2N3OS2/c1-21(8-10-6-7-13(17)25-10)14(23)9-24-16-20-11-4-2-3-5-12(11)22(16)15(18)19/h2-7,15H,8-9H2,1H3
InChIKeyYUAVHOHRLHKGAL-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.90
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide (PubChem CID 24633818) has the molecular formula C16H14ClF2N3OS2 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
PubChem CID24633818
Molecular FormulaC16H14ClF2N3OS2
Molecular Weight401.89 g/mol
Exact Mass401.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2n1C(F)F
InChIInChI=1S/C16H14ClF2N3OS2/c1-21(8-10-6-7-13(17)25-10)14(23)9-24-16-20-11-4-2-3-5-12(11)22(16)15(18)19/h2-7,15H,8-9H2,1H3
InChIKeyYUAVHOHRLHKGAL-UHFFFAOYSA-N
XLogP4.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 17426486
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 40918667
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 42328405
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
N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 51261752
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 37207886
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
CID 33247965
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide
CID 87019175
2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 43304154

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide (CID 24633818) is N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide is CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is YUAVHOHRLHKGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3OS2/c1-21(8-10-6-7-13(17)25-10)14(23)9-24-16-20-11-4-2-3-5-12(11)22(16)15(18)19/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 401.89 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 24633818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).