(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide

C14H13ClN2OS — CID 1208584

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C14H13ClN2OS/c1-10(19-13-6-4-11(15)5-7-13)14(18)17-12-3-2-8-16-9-12/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyQCRUPTDSPJRGCB-SNVBAGLBSA-N
MW292.79 g/mol
LogP3.85
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide (PubChem CID 1208584) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
PubChem CID1208584
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
SMILESC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C14H13ClN2OS/c1-10(19-13-6-4-11(15)5-7-13)14(18)17-12-3-2-8-16-9-12/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyQCRUPTDSPJRGCB-SNVBAGLBSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 43908489
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60638329
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
methyl 4-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 970587

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide (CID 1208584) is (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide is C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide?
The InChIKey is QCRUPTDSPJRGCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-10(19-13-6-4-11(15)5-7-13)14(18)17-12-3-2-8-16-9-12/h2-10H,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide has a molecular weight of 292.79 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 1208584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).