N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide

C15H15N3O2S — CID 95318480

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide
SMILESC[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)C(N)=O
InChIInChI=1S/C15H15N3O2S/c1-10(14(16)19)18-15(20)11-5-7-12(8-6-11)21-13-4-2-3-9-17-13/h2-10H,1H3,(H2,16,19)(H,18,20)/t10-/m0/s1
InChIKeyODLUXNUCIJMSCR-JTQLQIEISA-N
MW301.37 g/mol
LogP1.84
Rot. Bonds5

About N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide (PubChem CID 95318480) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide
PubChem CID95318480
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide
SMILESC[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)C(N)=O
InChIInChI=1S/C15H15N3O2S/c1-10(14(16)19)18-15(20)11-5-7-12(8-6-11)21-13-4-2-3-9-17-13/h2-10H,1H3,(H2,16,19)(H,18,20)/t10-/m0/s1
InChIKeyODLUXNUCIJMSCR-JTQLQIEISA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide (CID 95318480) is N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide is C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide?
The InChIKey is ODLUXNUCIJMSCR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10(14(16)19)18-15(20)11-5-7-12(8-6-11)21-13-4-2-3-9-17-13/h2-10H,1H3,(H2,16,19)(H,18,20)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide has a molecular weight of 301.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide is sourced from PubChem (CID 95318480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).