2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide

C15H14N2O4S — CID 94804302

IUPAC2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide
SMILESN#Cc1ccccc1CS(=O)(=O)CC(=O)NCc1ccco1
InChIInChI=1S/C15H14N2O4S/c16-8-12-4-1-2-5-13(12)10-22(19,20)11-15(18)17-9-14-6-3-7-21-14/h1-7H,9-11H2,(H,17,18)
InChIKeyRVIAXRRRSYPEPK-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.38
Rot. Bonds6

About 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide

2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 94804302) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID94804302
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide
SMILESN#Cc1ccccc1CS(=O)(=O)CC(=O)NCc1ccco1
InChIInChI=1S/C15H14N2O4S/c16-8-12-4-1-2-5-13(12)10-22(19,20)11-15(18)17-9-14-6-3-7-21-14/h1-7H,9-11H2,(H,17,18)
InChIKeyRVIAXRRRSYPEPK-UHFFFAOYSA-N
XLogP1.38
TPSA100.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
2-[(2-cyanophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 39159153
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
CID 113180649
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9286763
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
tert-butyl 2-[(2-cyanophenyl)methylsulfonyl]acetate
CID 116688160
1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134958
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
2-[(2-oxo-2-thiophen-2-ylethyl)sulfonylmethyl]benzonitrile
CID 82178434

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide (CID 94804302) is 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide is N#Cc1ccccc1CS(=O)(=O)CC(=O)NCc1ccco1.
What is the InChIKey of 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RVIAXRRRSYPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c16-8-12-4-1-2-5-13(12)10-22(19,20)11-15(18)17-9-14-6-3-7-21-14/h1-7H,9-11H2,(H,17,18).
What are the key properties of 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide?
2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 318.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 94804302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).