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

C22H22N2O3S — CID 7824621

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-11-13-19(14-12-17)28(26,27)24-21-10-6-5-9-20(21)22(25)23-16-15-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyQLFGNZRFLMFTDF-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.77
Rot. Bonds7

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

2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 7824621) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID7824621
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-11-13-19(14-12-17)28(26,27)24-21-10-6-5-9-20(21)22(25)23-16-15-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3,(H,23,25)
InChIKeyQLFGNZRFLMFTDF-UHFFFAOYSA-N
XLogP3.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 7824621) is 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is QLFGNZRFLMFTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17-11-13-19(14-12-17)28(26,27)24-21-10-6-5-9-20(21)22(25)23-16-15-18-7-3-2-4-8-18/h2-14,24H,15-16H2,1H3,(H,23,25).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 7824621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).