4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide

C15H15N3O2S — CID 8813442

IUPAC4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
SMILESC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H15N3O2S/c1-10(21-13-4-2-3-9-17-13)15(20)18-12-7-5-11(6-8-12)14(16)19/h2-10H,1H3,(H2,16,19)(H,18,20)/t10-/m1/s1
InChIKeyGEAYJXKPMOJJQH-SNVBAGLBSA-N
MW301.37 g/mol
LogP2.30
Rot. Bonds5

About 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide

4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide (PubChem CID 8813442) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
PubChem CID8813442
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
SMILESC[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H15N3O2S/c1-10(21-13-4-2-3-9-17-13)15(20)18-12-7-5-11(6-8-12)14(16)19/h2-10H,1H3,(H2,16,19)(H,18,20)/t10-/m1/s1
InChIKeyGEAYJXKPMOJJQH-SNVBAGLBSA-N
XLogP2.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475
2-(1-anilino-1-oxopropan-2-yl)sulfanylpyridine-4-carboxylic acid
CID 61298751
4-[[(2S)-2-(1-methylimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 40608634
(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 40821848
(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 99802302
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 949421
4-[[(2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7795573

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide (CID 8813442) is 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide is C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide?
The InChIKey is GEAYJXKPMOJJQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10(21-13-4-2-3-9-17-13)15(20)18-12-7-5-11(6-8-12)14(16)19/h2-10H,1H3,(H2,16,19)(H,18,20)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide?
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide has a molecular weight of 301.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 8813442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).