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

C25H28N2O4S — CID 1359124

IUPAC2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-20-8-10-22(11-9-20)18-26-25(28)19-27(17-16-21-6-4-3-5-7-21)32(29,30)24-14-12-23(31-2)13-15-24/h3-15H,16-19H2,1-2H3,(H,26,28)
InChIKeyCMWLBSNYWXJPBK-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.55
Rot. Bonds10

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

2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1359124) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1359124
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-20-8-10-22(11-9-20)18-26-25(28)19-27(17-16-21-6-4-3-5-7-21)32(29,30)24-14-12-23(31-2)13-15-24/h3-15H,16-19H2,1-2H3,(H,26,28)
InChIKeyCMWLBSNYWXJPBK-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 1359124) is 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is CMWLBSNYWXJPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-20-8-10-22(11-9-20)18-26-25(28)19-27(17-16-21-6-4-3-5-7-21)32(29,30)24-14-12-23(31-2)13-15-24/h3-15H,16-19H2,1-2H3,(H,26,28).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1359124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).