(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

C15H14N4OS — CID 7785065

IUPAC(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1ncn[nH]1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H14N4OS/c1-10(21-15-16-9-17-19-15)14(20)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H,18,20)(H,16,17,19)/t10-/m1/s1
InChIKeyKJFHOWJALTZWQZ-SNVBAGLBSA-N
MW298.37 g/mol
LogP3.08
Rot. Bonds4

About (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (PubChem CID 7785065) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
PubChem CID7785065
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1ncn[nH]1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H14N4OS/c1-10(21-15-16-9-17-19-15)14(20)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H,18,20)(H,16,17,19)/t10-/m1/s1
InChIKeyKJFHOWJALTZWQZ-SNVBAGLBSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785038
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 8010528
(2S)-N-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41112407
(2R)-N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 94184768
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 18075984
N-hydroxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 130626422
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 112815636
(2S)-N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7784999
N-naphthalen-1-yl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685002
(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 7785389

Frequently Asked Questions

What is the IUPAC name of (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (CID 7785065) is (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is C[C@@H](Sc1ncn[nH]1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The InChIKey is KJFHOWJALTZWQZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10(21-15-16-9-17-19-15)14(20)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H,18,20)(H,16,17,19)/t10-/m1/s1.
What are the key properties of (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide has a molecular weight of 298.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is sourced from PubChem (CID 7785065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).