N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C33H34N2O4S — CID 43902281

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C33H34N2O4S/c1-23-9-17-29(18-10-23)35(40(38,39)30-19-11-24(2)12-20-30)22-31(36)34-28-8-6-7-26(21-28)32(37)25-13-15-27(16-14-25)33(3,4)5/h6-21H,22H2,1-5H3,(H,34,36)
InChIKeyQBWQAENJJQLGSU-UHFFFAOYSA-N
MW554.71 g/mol
LogP6.67
Rot. Bonds8

About N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43902281) has the molecular formula C33H34N2O4S and a molecular weight of 554.71 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43902281
Molecular FormulaC33H34N2O4S
Molecular Weight554.71 g/mol
Exact Mass554.22
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C33H34N2O4S/c1-23-9-17-29(18-10-23)35(40(38,39)30-19-11-24(2)12-20-30)22-31(36)34-28-8-6-7-26(21-28)32(37)25-13-15-27(16-14-25)33(3,4)5/h6-21H,22H2,1-5H3,(H,34,36)
InChIKeyQBWQAENJJQLGSU-UHFFFAOYSA-N
XLogP6.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.71
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide 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]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 99943082
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43902455
N-[3-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 43901818
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
CID 43901838
4-tert-butyl-N-[3-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]phenyl]benzamide
CID 43902495
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
CID 43902069
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 92672616
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 28633023
4-tert-butyl-N-[3-[[2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]phenyl]benzamide
CID 43902609
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 99949486
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30307573

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43902281) is N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is QBWQAENJJQLGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4S/c1-23-9-17-29(18-10-23)35(40(38,39)30-19-11-24(2)12-20-30)22-31(36)34-28-8-6-7-26(21-28)32(37)25-13-15-27(16-14-25)33(3,4)5/h6-21H,22H2,1-5H3,(H,34,36).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 554.71 g/mol, XLogP of 6.67, 8 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]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43902281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).