(2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide

C16H16BrNO2S — CID 164683368

IUPAC(2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide
SMILESC[C@@](O)(CSc1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16BrNO2S/c1-16(20,11-21-14-9-7-12(17)8-10-14)15(19)18-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeySKZRGPUKODTADK-MRXNPFEDSA-N
MW366.28 g/mol
LogP3.93
Rot. Bonds5

About (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide

(2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide (PubChem CID 164683368) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide
PubChem CID164683368
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name(2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide
SMILESC[C@@](O)(CSc1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16BrNO2S/c1-16(20,11-21-14-9-7-12(17)8-10-14)15(19)18-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeySKZRGPUKODTADK-MRXNPFEDSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide 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

N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
[2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2383665
3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 2351326
N-[4-(4-bromophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10718441
2-[(4-bromophenyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2194605
Acetamide, N-(4-bromophenyl)-2-phenylthio-
CID 532045
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfanyl]acetamide
CID 3605514
cis-(1S,3R)-3-(4-bromophenyl)sulfanyl-2,2-difluoro-N-phenylcyclopropane-1-carboxamide
CID 139188880
(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide
CID 164683360
N-(4-bromophenyl)-2-(phenylthio)propanamide
CID 2889443
2-[(4-bromophenyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 981509
N-(2-Fluoro-4-phenylsulphanylphenyl)-2-hydroxy-2-methylpropanamide
CID 22287299

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide?
The IUPAC name of (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide (CID 164683368) is (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide?
The canonical SMILES for (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide is C[C@@](O)(CSc1ccc(Br)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide?
The InChIKey is SKZRGPUKODTADK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-16(20,11-21-14-9-7-12(17)8-10-14)15(19)18-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide?
(2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide has a molecular weight of 366.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 164683368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).