(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C18H20N4OS — CID 94488695

IUPAC(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)NCCSCc1cccc2ccccc12)n1cncn1
InChIInChI=1S/C18H20N4OS/c1-14(22-13-19-12-21-22)18(23)20-9-10-24-11-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,12-14H,9-11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyYPTXBNGDOJNDOJ-CQSZACIVSA-N
MW340.45 g/mol
LogP3.04
Rot. Bonds7

About (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94488695) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94488695
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)NCCSCc1cccc2ccccc12)n1cncn1
InChIInChI=1S/C18H20N4OS/c1-14(22-13-19-12-21-22)18(23)20-9-10-24-11-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,12-14H,9-11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyYPTXBNGDOJNDOJ-CQSZACIVSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]pentanamide;hydrochloride
CID 119304338
6-methyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 60568705
(2S)-2-amino-4-methylsulfanyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
CID 119304331
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
4-amino-3-methoxy-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]butanamide
CID 120590294
N-(2-methylpropyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 134058118
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
N-[2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46960299
N-(1H-indazol-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 62686023
N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60568912

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 94488695) is (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@H](C(=O)NCCSCc1cccc2ccccc12)n1cncn1.
What is the InChIKey of (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YPTXBNGDOJNDOJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-14(22-13-19-12-21-22)18(23)20-9-10-24-11-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,12-14H,9-11H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94488695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).