N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide

C16H23N3O4S — CID 46699305

IUPACN-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H23N3O4S/c1-12(2)18-24(22,23)14-7-5-6-13(10-14)16(21)17-11-15(20)19-8-3-4-9-19/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3,(H,17,21)
InChIKeyAEGKFOAJTYWGLX-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.73
Rot. Bonds6

About N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46699305) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID46699305
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H23N3O4S/c1-12(2)18-24(22,23)14-7-5-6-13(10-14)16(21)17-11-15(20)19-8-3-4-9-19/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3,(H,17,21)
InChIKeyAEGKFOAJTYWGLX-UHFFFAOYSA-N
XLogP0.73
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
CID 119414247
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 46699305) is N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is AEGKFOAJTYWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-12(2)18-24(22,23)14-7-5-6-13(10-14)16(21)17-11-15(20)19-8-3-4-9-19/h5-7,10,12,18H,3-4,8-9,11H2,1-2H3,(H,17,21).
What are the key properties of N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 353.44 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46699305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).