(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide

C17H18Cl2N2O3S — CID 100783730

IUPAC(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-9-14(19)7-8-15(11)20-17(22)10-16(21-25(2,23)24)12-3-5-13(18)6-4-12/h3-9,16,21H,10H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyZCOQBIJHKNBOIO-MRXNPFEDSA-N
MW401.32 g/mol
LogP3.92
Rot. Bonds6

About (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide

(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 100783730) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID100783730
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11-9-14(19)7-8-15(11)20-17(22)10-16(21-25(2,23)24)12-3-5-13(18)6-4-12/h3-9,16,21H,10H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyZCOQBIJHKNBOIO-MRXNPFEDSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide 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

(3S)-N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784376
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide
CID 133255321
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255244

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (CID 100783730) is (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is Cc1cc(Cl)ccc1NC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is ZCOQBIJHKNBOIO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11-9-14(19)7-8-15(11)20-17(22)10-16(21-25(2,23)24)12-3-5-13(18)6-4-12/h3-9,16,21H,10H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 401.32 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 100783730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).