N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide

C15H18N2O4S — CID 51086108

IUPACN-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(=O)CCc1ccco1
InChIInChI=1S/C15H18N2O4S/c1-17(12-13-6-3-2-4-7-13)22(19,20)16-15(18)10-9-14-8-5-11-21-14/h2-8,11H,9-10,12H2,1H3,(H,16,18)
InChIKeyWLJNYXOZPFXTAV-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.71
Rot. Bonds7

About N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide

N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide (PubChem CID 51086108) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide
PubChem CID51086108
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(=O)CCc1ccco1
InChIInChI=1S/C15H18N2O4S/c1-17(12-13-6-3-2-4-7-13)22(19,20)16-15(18)10-9-14-8-5-11-21-14/h2-8,11H,9-10,12H2,1H3,(H,16,18)
InChIKeyWLJNYXOZPFXTAV-UHFFFAOYSA-N
XLogP1.71
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]sulfonyl-3-(furan-2-yl)propanamide
CID 71917036
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide
CID 114311183
1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 25450628
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53280365
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide (CID 51086108) is N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide is CN(Cc1ccccc1)S(=O)(=O)NC(=O)CCc1ccco1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide?
The InChIKey is WLJNYXOZPFXTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-17(12-13-6-3-2-4-7-13)22(19,20)16-15(18)10-9-14-8-5-11-21-14/h2-8,11H,9-10,12H2,1H3,(H,16,18).
What are the key properties of N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide?
N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide has a molecular weight of 322.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 51086108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).