N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide

C20H24N2O4S — CID 55605086

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCC2CCCO2)c1
InChIInChI=1S/C20H24N2O4S/c1-22(17-8-3-2-4-9-17)27(24,25)19-11-5-7-16(15-19)21-20(23)13-12-18-10-6-14-26-18/h2-5,7-9,11,15,18H,6,10,12-14H2,1H3,(H,21,23)
InChIKeyFKNJLRNNYBTLLG-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.41
Rot. Bonds7

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 55605086) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID55605086
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCC2CCCO2)c1
InChIInChI=1S/C20H24N2O4S/c1-22(17-8-3-2-4-9-17)27(24,25)19-11-5-7-16(15-19)21-20(23)13-12-18-10-6-14-26-18/h2-5,7-9,11,15,18H,6,10,12-14H2,1H3,(H,21,23)
InChIKeyFKNJLRNNYBTLLG-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 29358158
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]propanamide
CID 129419023
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[[(2S)-oxolan-2-yl]methyl]amino]propanamide
CID 52872489
4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1118210
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide
CID 17392586

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide (CID 55605086) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCC2CCCO2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is FKNJLRNNYBTLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-22(17-8-3-2-4-9-17)27(24,25)19-11-5-7-16(15-19)21-20(23)13-12-18-10-6-14-26-18/h2-5,7-9,11,15,18H,6,10,12-14H2,1H3,(H,21,23).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 55605086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).