4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

C23H24N2O3S — CID 18280788

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-18-8-14-22(15-9-18)29(27,28)25(2)21-12-10-20(11-13-21)23(26)24-17-16-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyKVXIKLGTJAXYIX-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.79
Rot. Bonds7

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 18280788) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID18280788
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-18-8-14-22(15-9-18)29(27,28)25(2)21-12-10-20(11-13-21)23(26)24-17-16-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyKVXIKLGTJAXYIX-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 18280788) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is KVXIKLGTJAXYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18-8-14-22(15-9-18)29(27,28)25(2)21-12-10-20(11-13-21)23(26)24-17-16-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 18280788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).