2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide

C33H34N2O5S — CID 43902069

IUPAC2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C33H34N2O5S/c1-23-14-19-30(40-5)29(20-23)35(41(38,39)28-12-7-6-8-13-28)22-31(36)34-27-11-9-10-25(21-27)32(37)24-15-17-26(18-16-24)33(2,3)4/h6-21H,22H2,1-5H3,(H,34,36)
InChIKeyQBYBYDWHKQEBIN-UHFFFAOYSA-N
MW570.71 g/mol
LogP6.37
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide (PubChem CID 43902069) has the molecular formula C33H34N2O5S and a molecular weight of 570.71 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
PubChem CID43902069
Molecular FormulaC33H34N2O5S
Molecular Weight570.71 g/mol
Exact Mass570.22
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C33H34N2O5S/c1-23-14-19-30(40-5)29(20-23)35(41(38,39)28-12-7-6-8-13-28)22-31(36)34-27-11-9-10-25(21-27)32(37)24-15-17-26(18-16-24)33(2,3)4/h6-21H,22H2,1-5H3,(H,34,36)
InChIKeyQBYBYDWHKQEBIN-UHFFFAOYSA-N
XLogP6.37
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.71
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]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-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 28572319
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
CID 43901838
N-[3-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 43902057
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902281
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
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
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetamide
CID 99952852

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide (CID 43902069) is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide is COc1ccc(C)cc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide?
The InChIKey is QBYBYDWHKQEBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O5S/c1-23-14-19-30(40-5)29(20-23)35(41(38,39)28-12-7-6-8-13-28)22-31(36)34-27-11-9-10-25(21-27)32(37)24-15-17-26(18-16-24)33(2,3)4/h6-21H,22H2,1-5H3,(H,34,36).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide has a molecular weight of 570.71 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide is sourced from PubChem (CID 43902069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).