2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C27H31ClN2O4S — CID 100795274

IUPAC2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C27H31ClN2O4S/c1-19-14-20(2)27(21(3)15-19)35(32,33)30(17-23-6-10-24(28)11-7-23)18-26(31)29(4)16-22-8-12-25(34-5)13-9-22/h6-15H,16-18H2,1-5H3
InChIKeyQOZVRFQIJKNSEE-UHFFFAOYSA-N
MW515.08 g/mol
LogP5.12
Rot. Bonds9

About 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 100795274) has the molecular formula C27H31ClN2O4S and a molecular weight of 515.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID100795274
Molecular FormulaC27H31ClN2O4S
Molecular Weight515.08 g/mol
Exact Mass514.17
IUPAC Name2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C27H31ClN2O4S/c1-19-14-20(2)27(21(3)15-19)35(32,33)30(17-23-6-10-24(28)11-7-23)18-26(31)29(4)16-22-8-12-25(34-5)13-9-22/h6-15H,16-18H2,1-5H3
InChIKeyQOZVRFQIJKNSEE-UHFFFAOYSA-N
XLogP5.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.08
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide 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-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126372670
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
2-[(3,4-dichlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797510
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100795048
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100796116
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 126378298
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546352
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)acetamide
CID 4185982
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43872342
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546562

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 100795274) is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is QOZVRFQIJKNSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O4S/c1-19-14-20(2)27(21(3)15-19)35(32,33)30(17-23-6-10-24(28)11-7-23)18-26(31)29(4)16-22-8-12-25(34-5)13-9-22/h6-15H,16-18H2,1-5H3.
What are the key properties of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 515.08 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 100795274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).