(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide

C14H13ClN2OS — CID 42561657

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccncc1
InChIInChI=1S/C14H13ClN2OS/c1-10(19-13-4-2-11(15)3-5-13)14(18)17-12-6-8-16-9-7-12/h2-10H,1H3,(H,16,17,18)/t10-/m0/s1
InChIKeyWPSXICMKUXVWIU-JTQLQIEISA-N
MW292.79 g/mol
LogP3.85
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide (PubChem CID 42561657) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
PubChem CID42561657
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccncc1
InChIInChI=1S/C14H13ClN2OS/c1-10(19-13-4-2-11(15)3-5-13)14(18)17-12-6-8-16-9-7-12/h2-10H,1H3,(H,16,17,18)/t10-/m0/s1
InChIKeyWPSXICMKUXVWIU-JTQLQIEISA-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-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
CID 1208584
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
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-hydroxyphenyl)propanamide
CID 78783827
(E)-4-oxo-4-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 22785024
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 22776740
2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60638329
2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 43908489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide (CID 42561657) is (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide is C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccncc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide?
The InChIKey is WPSXICMKUXVWIU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-10(19-13-4-2-11(15)3-5-13)14(18)17-12-6-8-16-9-7-12/h2-10H,1H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-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 (2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 42561657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).