3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide

C26H27N3O5S — CID 43062423

IUPAC3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(CN4CCCC4=O)c3)ccc2C)cc1
InChIInChI=1S/C26H27N3O5S/c1-18-8-9-20(16-24(18)35(32,33)28-21-10-12-23(34-2)13-11-21)26(31)27-22-6-3-5-19(15-22)17-29-14-4-7-25(29)30/h3,5-6,8-13,15-16,28H,4,7,14,17H2,1-2H3,(H,27,31)
InChIKeyMOMNKFRWFHDENF-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.18
Rot. Bonds8

About 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide (PubChem CID 43062423) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
PubChem CID43062423
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(CN4CCCC4=O)c3)ccc2C)cc1
InChIInChI=1S/C26H27N3O5S/c1-18-8-9-20(16-24(18)35(32,33)28-21-10-12-23(34-2)13-11-21)26(31)27-22-6-3-5-19(15-22)17-29-14-4-7-25(29)30/h3,5-6,8-13,15-16,28H,4,7,14,17H2,1-2H3,(H,27,31)
InChIKeyMOMNKFRWFHDENF-UHFFFAOYSA-N
XLogP4.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062837
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 27708025
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062838
methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
CID 37007748
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
CID 166430535
4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 47088014
3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 35557182

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide (CID 43062423) is 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(CN4CCCC4=O)c3)ccc2C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is MOMNKFRWFHDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-18-8-9-20(16-24(18)35(32,33)28-21-10-12-23(34-2)13-11-21)26(31)27-22-6-3-5-19(15-22)17-29-14-4-7-25(29)30/h3,5-6,8-13,15-16,28H,4,7,14,17H2,1-2H3,(H,27,31).
What are the key properties of 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide?
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 493.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 43062423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).