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

C24H25ClN2O4S — CID 1359956

IUPACN-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-18-8-9-20(25)16-23(18)26-24(28)17-27(15-14-19-6-4-3-5-7-19)32(29,30)22-12-10-21(31-2)11-13-22/h3-13,16H,14-15,17H2,1-2H3,(H,26,28)
InChIKeyMJQNCJLFGUUTQM-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.53
Rot. Bonds9

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

N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 1359956) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID1359956
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-18-8-9-20(25)16-23(18)26-24(28)17-27(15-14-19-6-4-3-5-7-19)32(29,30)22-12-10-21(31-2)11-13-22/h3-13,16H,14-15,17H2,1-2H3,(H,26,28)
InChIKeyMJQNCJLFGUUTQM-UHFFFAOYSA-N
XLogP4.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 1359956) is N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is MJQNCJLFGUUTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-18-8-9-20(25)16-23(18)26-24(28)17-27(15-14-19-6-4-3-5-7-19)32(29,30)22-12-10-21(31-2)11-13-22/h3-13,16H,14-15,17H2,1-2H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 472.99 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 1359956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).