2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide

C24H25ClN2O3S — CID 126069329

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C24H25ClN2O3S/c1-17-8-13-23(19(3)14-17)26-24(28)16-27(15-20-7-5-4-6-18(20)2)31(29,30)22-11-9-21(25)10-12-22/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyDIIHCPXTSDKAMY-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.09
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 126069329) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID126069329
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C24H25ClN2O3S/c1-17-8-13-23(19(3)14-17)26-24(28)16-27(15-20-7-5-4-6-18(20)2)31(29,30)22-11-9-21(25)10-12-22/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyDIIHCPXTSDKAMY-UHFFFAOYSA-N
XLogP5.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126070281
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 28545696
4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126069709
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23737822
N-(2,5-dimethylphenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126068160
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126087455
N-(2,4-dimethylphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3955899
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 2193098
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069248
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23824740
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 126201169
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide (CID 126069329) is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is DIIHCPXTSDKAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-17-8-13-23(19(3)14-17)26-24(28)16-27(15-20-7-5-4-6-18(20)2)31(29,30)22-11-9-21(25)10-12-22/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 457.00 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126069329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).