2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide

C24H26N2O3S — CID 1141975

IUPAC2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3S/c1-19-13-14-20(2)23(17-19)25-24(27)18-26(16-15-21-9-5-3-6-10-21)30(28,29)22-11-7-4-8-12-22/h3-14,17H,15-16,18H2,1-2H3,(H,25,27)
InChIKeyGZPJZGKBLRASNZ-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.18
Rot. Bonds8

About 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide

2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 1141975) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID1141975
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3S/c1-19-13-14-20(2)23(17-19)25-24(27)18-26(16-15-21-9-5-3-6-10-21)30(28,29)22-11-7-4-8-12-22/h3-14,17H,15-16,18H2,1-2H3,(H,25,27)
InChIKeyGZPJZGKBLRASNZ-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide (CID 1141975) is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is GZPJZGKBLRASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-19-13-14-20(2)23(17-19)25-24(27)18-26(16-15-21-9-5-3-6-10-21)30(28,29)22-11-7-4-8-12-22/h3-14,17H,15-16,18H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide?
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 1141975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).