N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

C16H17N3O4S — CID 34317292

IUPACN-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O4S/c1-24(21,22)11-15-18-13-6-2-3-7-14(13)19(15)10-16(20)17-9-12-5-4-8-23-12/h2-8H,9-11H2,1H3,(H,17,20)
InChIKeyFNFQHFPEVBHQJK-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.49
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 34317292) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
PubChem CID34317292
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccco1
InChIInChI=1S/C16H17N3O4S/c1-24(21,22)11-15-18-13-6-2-3-7-14(13)19(15)10-16(20)17-9-12-5-4-8-23-12/h2-8H,9-11H2,1H3,(H,17,20)
InChIKeyFNFQHFPEVBHQJK-UHFFFAOYSA-N
XLogP1.49
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029304
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 17029255
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17030952
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4234057
N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 52572499
N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17032106
N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030171
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24624905
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55780594
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 25341834

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide (CID 34317292) is N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is FNFQHFPEVBHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-24(21,22)11-15-18-13-6-2-3-7-14(13)19(15)10-16(20)17-9-12-5-4-8-23-12/h2-8H,9-11H2,1H3,(H,17,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 34317292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).