N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C25H27ClN2O3S — CID 100782435

IUPACN-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C25H27ClN2O3S/c1-18-9-10-19(2)24(15-18)32(30,31)28(14-13-21-7-5-4-6-8-21)17-25(29)27-23-12-11-22(26)16-20(23)3/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,29)
InChIKeyYGMKMFNXDIKHJP-UHFFFAOYSA-N
MW471.02 g/mol
LogP5.14
Rot. Bonds8

About N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 100782435) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID100782435
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C25H27ClN2O3S/c1-18-9-10-19(2)24(15-18)32(30,31)28(14-13-21-7-5-4-6-8-21)17-25(29)27-23-12-11-22(26)16-20(23)3/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,29)
InChIKeyYGMKMFNXDIKHJP-UHFFFAOYSA-N
XLogP5.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782385
N-(2,4-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782485
N-[1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 133255072
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 100782482
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 100782472
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 3295282
N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781403
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 126022251
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 100782435) is N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is YGMKMFNXDIKHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c1-18-9-10-19(2)24(15-18)32(30,31)28(14-13-21-7-5-4-6-8-21)17-25(29)27-23-12-11-22(26)16-20(23)3/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,29).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 471.02 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 100782435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).