(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide

C16H16ClNOS — CID 40544089

IUPAC(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
SMILESC[C@](Cl)(CSc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-16(17,12-20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyWOSYBQOLZHTIIG-INIZCTEOSA-N
MW305.83 g/mol
LogP4.41
Rot. Bonds5

About (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide

(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide (PubChem CID 40544089) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
PubChem CID40544089
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
SMILESC[C@](Cl)(CSc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-16(17,12-20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyWOSYBQOLZHTIIG-INIZCTEOSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide 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-chloro-2-methyl-3-phenylsulfanylpropanoic acid
CID 13403526
(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide
CID 164683364
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
CID 145483758
2,3-dichloro-2-methyl-N-phenylpentanamide
CID 154355250
3-(3-aminopropylsulfanyl)-2,2-dimethyl-N-phenylpropanamide
CID 66218595
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
N-(4-chloro-3-nitrophenyl)-2-hydroxy-2-methyl-3-phenylsulfanylpropanamide
CID 14064768
2,2-dichloro-4-hydroxy-N-phenylbutanamide
CID 23345439

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide?
The IUPAC name of (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide (CID 40544089) is (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide is C[C@](Cl)(CSc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide?
The InChIKey is WOSYBQOLZHTIIG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-16(17,12-20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide?
(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide has a molecular weight of 305.83 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 40544089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).