5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide

C18H16N2O4S — CID 51155551

IUPAC5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C18H16N2O4S/c21-18(20-12-14-8-10-19-11-9-14)17-7-6-15(24-17)13-25(22,23)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,20,21)
InChIKeyWFZBCVNTOUGIOY-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.58
Rot. Bonds6

About 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide (PubChem CID 51155551) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
PubChem CID51155551
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C18H16N2O4S/c21-18(20-12-14-8-10-19-11-9-14)17-7-6-15(24-17)13-25(22,23)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,20,21)
InChIKeyWFZBCVNTOUGIOY-UHFFFAOYSA-N
XLogP2.58
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide 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

5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
CID 24509023
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 55653064
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 55727924
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
CID 55489815
5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55660876

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide (CID 51155551) is 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide is O=C(NCc1ccncc1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is WFZBCVNTOUGIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c21-18(20-12-14-8-10-19-11-9-14)17-7-6-15(24-17)13-25(22,23)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,20,21).
What are the key properties of 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 51155551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).