N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide

C32H37N3O4S — CID 3957049

IUPACN-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCCCN(CC(=O)c1c(-c2ccccc2)[nH]n(-c2ccccc2C)c1=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C32H37N3O4S/c1-6-7-21-34(40(38,39)26-19-17-25(18-20-26)32(3,4)5)22-28(36)29-30(24-14-9-8-10-15-24)33-35(31(29)37)27-16-12-11-13-23(27)2/h8-20,33H,6-7,21-22H2,1-5H3
InChIKeyKWYINXZSLBMVJX-UHFFFAOYSA-N
MW559.73 g/mol
LogP6.11
Rot. Bonds10

About N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide

N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 3957049) has the molecular formula C32H37N3O4S and a molecular weight of 559.73 g/mol. Its IUPAC name is N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID3957049
Molecular FormulaC32H37N3O4S
Molecular Weight559.73 g/mol
Exact Mass559.25
IUPAC NameN-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCCCN(CC(=O)c1c(-c2ccccc2)[nH]n(-c2ccccc2C)c1=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C32H37N3O4S/c1-6-7-21-34(40(38,39)26-19-17-25(18-20-26)32(3,4)5)22-28(36)29-30(24-14-9-8-10-15-24)33-35(31(29)37)27-16-12-11-13-23(27)2/h8-20,33H,6-7,21-22H2,1-5H3
InChIKeyKWYINXZSLBMVJX-UHFFFAOYSA-N
XLogP6.11
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.73
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]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-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 3963067
N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 5022659
4-tert-butyl-N-[2-[2-(2-ethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-N-propylbenzamide
CID 3984894
ethyl 2-[(4-tert-butylphenyl)sulfonyl-propylamino]acetate
CID 55855485
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]acetamide
CID 3887743
2-[butyl(naphthalen-2-ylsulfonyl)amino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3317731
4-[(Z)-octadec-9-enoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 70409795
N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2441689
methyl 4-[2-[benzenesulfonyl(propyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42673066
ethyl 4-[2-[benzenesulfonyl(propyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42670618
N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 3348155
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide (CID 3957049) is N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide is CCCCN(CC(=O)c1c(-c2ccccc2)[nH]n(-c2ccccc2C)c1=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is KWYINXZSLBMVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4S/c1-6-7-21-34(40(38,39)26-19-17-25(18-20-26)32(3,4)5)22-28(36)29-30(24-14-9-8-10-15-24)33-35(31(29)37)27-16-12-11-13-23(27)2/h8-20,33H,6-7,21-22H2,1-5H3.
What are the key properties of N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide?
N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 559.73 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 3957049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).