(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide

C15H16N4O2S — CID 97003188

IUPAC(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ccccn1)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C15H16N4O2S/c1-10(22-13-7-2-3-8-17-13)14(20)18-11-5-4-6-12(9-11)19-15(16)21/h2-10H,1H3,(H,18,20)(H3,16,19,21)/t10-/m0/s1
InChIKeyPSCADMSKDINKRC-JTQLQIEISA-N
MW316.39 g/mol
LogP2.69
Rot. Bonds5

About (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide

(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 97003188) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID97003188
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ccccn1)C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C15H16N4O2S/c1-10(22-13-7-2-3-8-17-13)14(20)18-11-5-4-6-12(9-11)19-15(16)21/h2-10H,1H3,(H,18,20)(H3,16,19,21)/t10-/m0/s1
InChIKeyPSCADMSKDINKRC-JTQLQIEISA-N
XLogP2.69
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(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
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813064
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
2-(1-anilino-1-oxopropan-2-yl)sulfanylpyridine-4-carboxylic acid
CID 61298751
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide (CID 97003188) is (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide is C[C@H](Sc1ccccn1)C(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is PSCADMSKDINKRC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10(22-13-7-2-3-8-17-13)14(20)18-11-5-4-6-12(9-11)19-15(16)21/h2-10H,1H3,(H,18,20)(H3,16,19,21)/t10-/m0/s1.
What are the key properties of (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide?
(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 316.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 97003188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).