2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C24H24ClFN2O3S — CID 30401281

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1ccccc1CN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFN2O3S/c1-17-5-3-4-6-20(17)15-28(32(30,31)23-13-9-21(25)10-14-23)16-24(29)27-18(2)19-7-11-22(26)12-8-19/h3-14,18H,15-16H2,1-2H3,(H,27,29)/t18-/m1/s1
InChIKeyRUHNRDOZZUYVTD-GOSISDBHSA-N
MW474.99 g/mol
LogP4.86
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 30401281) has the molecular formula C24H24ClFN2O3S and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID30401281
Molecular FormulaC24H24ClFN2O3S
Molecular Weight474.99 g/mol
Exact Mass474.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1ccccc1CN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClFN2O3S/c1-17-5-3-4-6-20(17)15-28(32(30,31)23-13-9-21(25)10-14-23)16-24(29)27-18(2)19-7-11-22(26)12-8-19/h3-14,18H,15-16H2,1-2H3,(H,27,29)/t18-/m1/s1
InChIKeyRUHNRDOZZUYVTD-GOSISDBHSA-N
XLogP4.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2191998
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401134
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401160
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 28544752
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28545519
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401241
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906174
N-[1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 43871903
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401016
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401044
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28544794

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 30401281) is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is Cc1ccccc1CN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is RUHNRDOZZUYVTD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24ClFN2O3S/c1-17-5-3-4-6-20(17)15-28(32(30,31)23-13-9-21(25)10-14-23)16-24(29)27-18(2)19-7-11-22(26)12-8-19/h3-14,18H,15-16H2,1-2H3,(H,27,29)/t18-/m1/s1.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 474.99 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 30401281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).