N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C27H28N2O4S — CID 99954228

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)cc1
InChIInChI=1S/C27H28N2O4S/c1-27(2,3)21-11-9-19(10-12-21)26(31)20-6-4-7-22(18-20)28-34(32,33)24-15-13-23(14-16-24)29-17-5-8-25(29)30/h4,6-7,9-16,18,28H,5,8,17H2,1-3H3
InChIKeyFCJBGEPPZUCYHO-UHFFFAOYSA-N
MW476.60 g/mol
LogP5.14
Rot. Bonds6

About N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 99954228) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID99954228
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)cc1
InChIInChI=1S/C27H28N2O4S/c1-27(2,3)21-11-9-19(10-12-21)26(31)20-6-4-7-22(18-20)28-34(32,33)24-15-13-23(14-16-24)29-17-5-8-25(29)30/h4,6-7,9-16,18,28H,5,8,17H2,1-3H3
InChIKeyFCJBGEPPZUCYHO-UHFFFAOYSA-N
XLogP5.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide 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-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
CID 92682052
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
3-[(4-tert-butylphenyl)sulfonylamino]benzoate
CID 7720201
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 92676130
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46762833
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28578210
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 99954228) is N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2)cc1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is FCJBGEPPZUCYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-27(2,3)21-11-9-19(10-12-21)26(31)20-6-4-7-22(18-20)28-34(32,33)24-15-13-23(14-16-24)29-17-5-8-25(29)30/h4,6-7,9-16,18,28H,5,8,17H2,1-3H3.
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 476.60 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 99954228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).