N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

C16H17N3O4S — CID 43034758

IUPACN-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccco1
InChIInChI=1S/C16H17N3O4S/c1-11(14-8-5-9-23-14)17-15(20)10-19-13-7-4-3-6-12(13)18-16(19)24(2,21)22/h3-9,11H,10H2,1-2H3,(H,17,20)
InChIKeyVRCFKOCIABDKIW-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.91
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide

N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (PubChem CID 43034758) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
PubChem CID43034758
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccco1
InChIInChI=1S/C16H17N3O4S/c1-11(14-8-5-9-23-14)17-15(20)10-19-13-7-4-3-6-12(13)18-16(19)24(2,21)22/h3-9,11H,10H2,1-2H3,(H,17,20)
InChIKeyVRCFKOCIABDKIW-UHFFFAOYSA-N
XLogP1.91
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 55463202
2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30886599
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594664
N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
CID 42891361
N-[furan-2-yl(phenyl)methyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 51202325
N-(5-bromo-2-pyridinyl)-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 38991133
N-[(1S,2S)-2-methylcyclohexyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 27934156
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
4-(2-methylsulfonylbenzimidazol-1-yl)butan-2-one
CID 30906910
N-[1-(furan-2-yl)ethyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 71935095
N-[(1S)-1-(furan-2-yl)ethyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 40682459
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-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide (CID 43034758) is N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is CC(NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
The InChIKey is VRCFKOCIABDKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11(14-8-5-9-23-14)17-15(20)10-19-13-7-4-3-6-12(13)18-16(19)24(2,21)22/h3-9,11H,10H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide?
N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 43034758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).