4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide

C16H20N2O4S — CID 2216242

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
SMILESCN(CCCC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20N2O4S/c1-18(23(20,21)15-8-3-2-4-9-15)11-5-10-16(19)17-13-14-7-6-12-22-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,17,19)
InChIKeyWDXUALKXAHEDBR-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.00
Rot. Bonds8

About 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide

4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide (PubChem CID 2216242) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
PubChem CID2216242
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
SMILESCN(CCCC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20N2O4S/c1-18(23(20,21)15-8-3-2-4-9-15)11-5-10-16(19)17-13-14-7-6-12-22-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,17,19)
InChIKeyWDXUALKXAHEDBR-UHFFFAOYSA-N
XLogP2.00
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)ethyl]butanamide
CID 18111301
2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288249
4-(2-fluoro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)butanamide
CID 53287962
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100570202
N-(furan-2-ylmethyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide
CID 18170892
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 51115692
4-(dimethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118985
3-[acetyl(3-phenylpropyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113122215

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide (CID 2216242) is 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide is CN(CCCC(=O)NCc1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is WDXUALKXAHEDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-18(23(20,21)15-8-3-2-4-9-15)11-5-10-16(19)17-13-14-7-6-12-22-14/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,17,19).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide?
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 336.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 2216242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).