N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C29H35NO4S — CID 19212810

IUPACN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCCCc1ccc(N(C(=O)COc2cc(C)ccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H35NO4S/c1-6-7-8-24-12-14-25(15-13-24)30(35(32,33)26-16-9-22(4)10-17-26)29(31)20-34-28-19-23(5)11-18-27(28)21(2)3/h9-19,21H,6-8,20H2,1-5H3
InChIKeyCFSFDUCQLZPSRH-UHFFFAOYSA-N
MW493.67 g/mol
LogP6.57
Rot. Bonds10

About N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 19212810) has the molecular formula C29H35NO4S and a molecular weight of 493.67 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID19212810
Molecular FormulaC29H35NO4S
Molecular Weight493.67 g/mol
Exact Mass493.23
IUPAC NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCCCCc1ccc(N(C(=O)COc2cc(C)ccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H35NO4S/c1-6-7-8-24-12-14-25(15-13-24)30(35(32,33)26-16-9-22(4)10-17-26)29(31)20-34-28-19-23(5)11-18-27(28)21(2)3/h9-19,21H,6-8,20H2,1-5H3
InChIKeyCFSFDUCQLZPSRH-UHFFFAOYSA-N
XLogP6.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.67
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)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

2-(4-bromo-2-ethylphenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219771
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218406
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
N-(4-ethylphenyl)-N-(4-methylphenyl)sulfonyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19218327
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 19218443
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 19217762
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 19212810) is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CCCCc1ccc(N(C(=O)COc2cc(C)ccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is CFSFDUCQLZPSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO4S/c1-6-7-8-24-12-14-25(15-13-24)30(35(32,33)26-16-9-22(4)10-17-26)29(31)20-34-28-19-23(5)11-18-27(28)21(2)3/h9-19,21H,6-8,20H2,1-5H3.
What are the key properties of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 493.67 g/mol, XLogP of 6.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19212810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).