N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C26H35N3O4S — CID 17080804

IUPACN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)CC1=O
InChIInChI=1S/C26H35N3O4S/c1-18(2)15-28(16-19(3)4)34(32,33)23-12-10-22(11-13-23)27-26(31)21-14-25(30)29(17-21)24-9-7-6-8-20(24)5/h6-13,18-19,21H,14-17H2,1-5H3,(H,27,31)
InChIKeyUJKLQFHTDWKNMK-UHFFFAOYSA-N
MW485.65 g/mol
LogP4.29
Rot. Bonds9

About N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17080804) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17080804
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)CC1=O
InChIInChI=1S/C26H35N3O4S/c1-18(2)15-28(16-19(3)4)34(32,33)23-12-10-22(11-13-23)27-26(31)21-14-25(30)29(17-21)24-9-7-6-8-20(24)5/h6-13,18-19,21H,14-17H2,1-5H3,(H,27,31)
InChIKeyUJKLQFHTDWKNMK-UHFFFAOYSA-N
XLogP4.29
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152213
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120453
(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40963997
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29449318
N-(3-methylbutyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080735
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080793
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 124529053
(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30179761

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17080804) is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)CC1=O.
What is the InChIKey of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UJKLQFHTDWKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-18(2)15-28(16-19(3)4)34(32,33)23-12-10-22(11-13-23)27-26(31)21-14-25(30)29(17-21)24-9-7-6-8-20(24)5/h6-13,18-19,21H,14-17H2,1-5H3,(H,27,31).
What are the key properties of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17080804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).