N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C23H27N3O4S — CID 3996794

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H27N3O4S/c1-17-7-10-19(16-21(17)31(29,30)25-13-3-2-4-14-25)24-23(28)18-8-11-20(12-9-18)26-15-5-6-22(26)27/h7-12,16H,2-6,13-15H2,1H3,(H,24,28)
InChIKeyULORWVOJJXFVGU-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.55
Rot. Bonds5

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3996794) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3996794
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H27N3O4S/c1-17-7-10-19(16-21(17)31(29,30)25-13-3-2-4-14-25)24-23(28)18-8-11-20(12-9-18)26-15-5-6-22(26)27/h7-12,16H,2-6,13-15H2,1H3,(H,24,28)
InChIKeyULORWVOJJXFVGU-UHFFFAOYSA-N
XLogP3.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-Methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CID 2327953
4-amino-N,N-dimethyl-2-sulfamoylbenzamide
CID 11064601
N,N-Dimethyl-2-aminosulfonyl-4-formamidobenzamide
CID 15240549
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
CID 20969430
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
4-(3-oxo-1,2-benzothiazol-2-yl)-N-propylbenzamide
CID 16749975
acs.jmedchem.1c00409_ST.181
CID 162533685
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 3996794) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ULORWVOJJXFVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-17-7-10-19(16-21(17)31(29,30)25-13-3-2-4-14-25)24-23(28)18-8-11-20(12-9-18)26-15-5-6-22(26)27/h7-12,16H,2-6,13-15H2,1H3,(H,24,28).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 441.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3996794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).