N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide

C24H26N2O3S — CID 1232004

IUPACN-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C
InChIInChI=1S/C24H26N2O3S/c1-19-11-13-23(14-12-19)30(28,29)26(16-15-21-8-4-3-5-9-21)18-24(27)25-22-10-6-7-20(2)17-22/h3-14,17H,15-16,18H2,1-2H3,(H,25,27)
InChIKeyLVYSMDOWTFAYLL-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.70
Rot. Bonds8

About N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide

N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide (PubChem CID 1232004) has the molecular formula C24H26N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide
PubChem CID1232004
Molecular FormulaC24H26N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.17
IUPAC NameN-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C
InChIInChI=1S/C24H26N2O3S/c1-19-11-13-23(14-12-19)30(28,29)26(16-15-21-8-4-3-5-9-21)18-24(27)25-22-10-6-7-20(2)17-22/h3-14,17H,15-16,18H2,1-2H3,(H,25,27)
InChIKeyLVYSMDOWTFAYLL-UHFFFAOYSA-N
XLogP4.70
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity631

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide (CID 1232004) is N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide is CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C.
What is the InChIKey of N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide?
The InChIKey is LVYSMDOWTFAYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-19-11-13-23(14-12-19)30(28,29)26(16-15-21-8-4-3-5-9-21)18-24(27)25-22-10-6-7-20(2)17-22/h3-14,17H,15-16,18H2,1-2H3,(H,25,27).
What are the key properties of N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide?
N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide has a molecular weight of 422.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]acetamide is sourced from PubChem (CID 1232004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).