2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

C15H14N2O4S — CID 9458920

IUPAC2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCc1oc(NC(=O)CS(=O)(=O)c2ccccc2)c(C#N)c1C
InChIInChI=1S/C15H14N2O4S/c1-10-11(2)21-15(13(10)8-16)17-14(18)9-22(19,20)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyCCANWSDJYPZZCE-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.18
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (PubChem CID 9458920) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
PubChem CID9458920
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCc1oc(NC(=O)CS(=O)(=O)c2ccccc2)c(C#N)c1C
InChIInChI=1S/C15H14N2O4S/c1-10-11(2)21-15(13(10)8-16)17-14(18)9-22(19,20)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyCCANWSDJYPZZCE-UHFFFAOYSA-N
XLogP2.18
TPSA100.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148
2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 42126507
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43465994
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 43054288
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9458317
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
CID 108762743
N-(3-cyano-4,5-dimethylfuran-2-yl)-11-(1,3-dioxoisoindol-2-yl)undecanamide
CID 108762791
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39013390
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789579
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 108762849
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 18135579

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (CID 9458920) is 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is Cc1oc(NC(=O)CS(=O)(=O)c2ccccc2)c(C#N)c1C.
What is the InChIKey of 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The InChIKey is CCANWSDJYPZZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-10-11(2)21-15(13(10)8-16)17-14(18)9-22(19,20)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide has a molecular weight of 318.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is sourced from PubChem (CID 9458920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).