3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide

C24H26N2O3S — CID 5003522

IUPAC3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)NCCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-19-12-14-22(15-13-19)30(28,29)26-23(21-10-6-3-7-11-21)18-24(27)25-17-16-20-8-4-2-5-9-20/h2-15,23,26H,16-18H2,1H3,(H,25,27)
InChIKeyBSSUHGDYQNWMSM-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.76
Rot. Bonds9

About 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide

3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 5003522) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID5003522
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)NCCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-19-12-14-22(15-13-19)30(28,29)26-23(21-10-6-3-7-11-21)18-24(27)25-17-16-20-8-4-2-5-9-20/h2-15,23,26H,16-18H2,1H3,(H,25,27)
InChIKeyBSSUHGDYQNWMSM-UHFFFAOYSA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide (CID 5003522) is 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide is Cc1ccc(S(=O)(=O)NC(CC(=O)NCCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is BSSUHGDYQNWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-19-12-14-22(15-13-19)30(28,29)26-23(21-10-6-3-7-11-21)18-24(27)25-17-16-20-8-4-2-5-9-20/h2-15,23,26H,16-18H2,1H3,(H,25,27).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 422.55 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 5003522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).