2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide

C15H12ClN3OS — CID 51319472

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
SMILESCC(Sc1ncccc1Cl)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H12ClN3OS/c1-10(21-15-13(16)6-3-7-18-15)14(20)19-12-5-2-4-11(8-12)9-17/h2-8,10H,1H3,(H,19,20)
InChIKeyCSEYPQQOELGAKD-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.73
Rot. Bonds4

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide (PubChem CID 51319472) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
PubChem CID51319472
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
SMILESCC(Sc1ncccc1Cl)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H12ClN3OS/c1-10(21-15-13(16)6-3-7-18-15)14(20)19-12-5-2-4-11(8-12)9-17/h2-8,10H,1H3,(H,19,20)
InChIKeyCSEYPQQOELGAKD-UHFFFAOYSA-N
XLogP3.73
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]propanamide
CID 51319428
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-cyanophenyl)propanamide
CID 4968095
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-nitrophenyl)propanamide
CID 51319427
(2S)-N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529318
N-(3-cyanophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62268560
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(4-nitrophenyl)propanamide
CID 51319487
methyl 2-chloro-5-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]sulfanylbenzoate
CID 96535611
N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452550
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 7624496
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide
CID 78456043
N-(3-cyanophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 17459603
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 9274086

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide (CID 51319472) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide is CC(Sc1ncccc1Cl)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide?
The InChIKey is CSEYPQQOELGAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-10(21-15-13(16)6-3-7-18-15)14(20)19-12-5-2-4-11(8-12)9-17/h2-8,10H,1H3,(H,19,20).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide has a molecular weight of 317.80 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 51319472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).