2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide

C25H27ClN2O4S — CID 28546834

IUPAC2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2ccccc2)cc1C
InChIInChI=1S/C25H27ClN2O4S/c1-18-15-23(13-14-24(18)32-3)33(30,31)28(16-20-7-5-4-6-8-20)17-25(29)27-19(2)21-9-11-22(26)12-10-21/h4-15,19H,16-17H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyRFQNTOOWEVTKRZ-LJQANCHMSA-N
MW487.02 g/mol
LogP4.73
Rot. Bonds9

About 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide

2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 28546834) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
PubChem CID28546834
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2ccccc2)cc1C
InChIInChI=1S/C25H27ClN2O4S/c1-18-15-23(13-14-24(18)32-3)33(30,31)28(16-20-7-5-4-6-8-20)17-25(29)27-19(2)21-9-11-22(26)12-10-21/h4-15,19H,16-17H2,1-3H3,(H,27,29)/t19-/m1/s1
InChIKeyRFQNTOOWEVTKRZ-LJQANCHMSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)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-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401389
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546764
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872365
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872467
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28544716
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43872602
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28547602
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401445
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94861549
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872486

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide (CID 28546834) is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2ccccc2)cc1C.
What is the InChIKey of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is RFQNTOOWEVTKRZ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-18-15-23(13-14-24(18)32-3)33(30,31)28(16-20-7-5-4-6-8-20)17-25(29)27-19(2)21-9-11-22(26)12-10-21/h4-15,19H,16-17H2,1-3H3,(H,27,29)/t19-/m1/s1.
What are the key properties of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 487.02 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 28546834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).