2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide

C14H11N3OS — CID 141079378

IUPAC2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide
SMILESN#Cc1cccc(C(S)C(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H11N3OS/c15-9-10-4-3-5-11(8-10)13(19)14(18)17-12-6-1-2-7-16-12/h1-8,13,19H,(H,16,17,18)
InChIKeyCXGRKPBKGZXVQD-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.56
Rot. Bonds3

About 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide

2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide (PubChem CID 141079378) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide
PubChem CID141079378
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide
SMILESN#Cc1cccc(C(S)C(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H11N3OS/c15-9-10-4-3-5-11(8-10)13(19)14(18)17-12-6-1-2-7-16-12/h1-8,13,19H,(H,16,17,18)
InChIKeyCXGRKPBKGZXVQD-UHFFFAOYSA-N
XLogP2.56
TPSA65.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
(2S)-2-phenyl-2-phenylsulfanyl-N-pyridin-2-ylacetamide
CID 40546464
2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 48909055
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea
CID 75398088
1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51124507
(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 98506749
[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate
CID 51729581
N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296389
methyl N-[3-[(2R)-2-cyano-3-oxo-3-(pyridin-2-ylamino)propanoyl]phenyl]carbamate
CID 98142120
3-[hydroxy(phenyl)methyl]benzonitrile
CID 19003636

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide?
The IUPAC name of 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide (CID 141079378) is 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide is N#Cc1cccc(C(S)C(=O)Nc2ccccn2)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide?
The InChIKey is CXGRKPBKGZXVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-9-10-4-3-5-11(8-10)13(19)14(18)17-12-6-1-2-7-16-12/h1-8,13,19H,(H,16,17,18).
What are the key properties of 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide?
2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide has a molecular weight of 269.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-pyridin-2-yl-2-sulfanylacetamide is sourced from PubChem (CID 141079378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).