(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide

C15H13BrClNOS — CID 7785397

IUPAC(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
SMILESC[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNOS/c1-10(20-14-8-2-11(16)3-9-14)15(19)18-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyABQVKWUSZJRWPO-JTQLQIEISA-N
MW370.70 g/mol
LogP5.22
Rot. Bonds4

About (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide

(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide (PubChem CID 7785397) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
PubChem CID7785397
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC Name(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
SMILESC[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNOS/c1-10(20-14-8-2-11(16)3-9-14)15(19)18-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyABQVKWUSZJRWPO-JTQLQIEISA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
methyl 4-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 970587
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N-[(Z)-1-(4-bromophenyl)-3-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22191032
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 25034802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide (CID 7785397) is (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide is C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide?
The InChIKey is ABQVKWUSZJRWPO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13BrClNOS/c1-10(20-14-8-2-11(16)3-9-14)15(19)18-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide?
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide has a molecular weight of 370.70 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 7785397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).