N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C22H27N3O4S — CID 30394443

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-3-25(4-2)30(28,29)20-13-11-19(12-14-20)23-22(27)18-9-7-17(8-10-18)16-24-15-5-6-21(24)26/h7-14H,3-6,15-16H2,1-2H3,(H,23,27)
InChIKeyQRJGHBRSLPWGSC-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.09
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 30394443) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID30394443
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-3-25(4-2)30(28,29)20-13-11-19(12-14-20)23-22(27)18-9-7-17(8-10-18)16-24-15-5-6-21(24)26/h7-14H,3-6,15-16H2,1-2H3,(H,23,27)
InChIKeyQRJGHBRSLPWGSC-UHFFFAOYSA-N
XLogP3.09
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide 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

N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41468608
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 99940050
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-[4-(cyclopropanecarbonylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 41266087
N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55624076
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38004597
4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 47088014
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 30394443) is N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is QRJGHBRSLPWGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-25(4-2)30(28,29)20-13-11-19(12-14-20)23-22(27)18-9-7-17(8-10-18)16-24-15-5-6-21(24)26/h7-14H,3-6,15-16H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 30394443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).