2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

C15H15N3O4S — CID 113157141

IUPAC2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccccc1C#N
InChIInChI=1S/C15H15N3O4S/c1-23(20,21)18(14-7-3-2-5-12(14)9-16)11-15(19)17-10-13-6-4-8-22-13/h2-8H,10-11H2,1H3,(H,17,19)
InChIKeyOPMVKZSULKVMNG-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.23
Rot. Bonds6

About 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 113157141) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID113157141
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccccc1C#N
InChIInChI=1S/C15H15N3O4S/c1-23(20,21)18(14-7-3-2-5-12(14)9-16)11-15(19)17-10-13-6-4-8-22-13/h2-8H,10-11H2,1H3,(H,17,19)
InChIKeyOPMVKZSULKVMNG-UHFFFAOYSA-N
XLogP1.23
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
CID 113180649
2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157157
N-(furan-2-ylmethyl)-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156368
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 1313308
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide
CID 94804302
2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 113157125
2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 113152850
N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288249
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (CID 113157141) is 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccccc1C#N.
What is the InChIKey of 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OPMVKZSULKVMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-23(20,21)18(14-7-3-2-5-12(14)9-16)11-15(19)17-10-13-6-4-8-22-13/h2-8H,10-11H2,1H3,(H,17,19).
What are the key properties of 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 333.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113157141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).