3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide

C20H22N4OS — CID 17136642

IUPAC3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
SMILESC=CCn1c(CC)nnc1SCCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H22N4OS/c1-3-13-24-18(4-2)22-23-20(24)26-14-12-19(25)21-17-11-7-9-15-8-5-6-10-16(15)17/h3,5-11H,1,4,12-14H2,2H3,(H,21,25)
InChIKeyXXFJYYLDGIFPDQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.30
Rot. Bonds8

About 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide

3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide (PubChem CID 17136642) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
PubChem CID17136642
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
SMILESC=CCn1c(CC)nnc1SCCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H22N4OS/c1-3-13-24-18(4-2)22-23-20(24)26-14-12-19(25)21-17-11-7-9-15-8-5-6-10-16(15)17/h3,5-11H,1,4,12-14H2,2H3,(H,21,25)
InChIKeyXXFJYYLDGIFPDQ-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylpropanamide
CID 17136882
N-(2-chlorophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 17136630
2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 126354879
2-fluoro-N-[[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 126358433
ethyl 4-cyano-3-methyl-5-[3-[[5-[(naphthalen-1-ylamino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-2-carboxylate
CID 17047648
2-[[5-[(2,5-dichlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 17304943
2-[[5-[(3-chloro-4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 21164853
2-[5-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-ethylphenyl)acetamide
CID 3936038
N-(4-bromo-2-methylphenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17136522
N-(4-chlorophenyl)-3-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 17136872
2-[[5-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 4637714
2-[[5-[1-(4-tert-butylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 19639666

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide (CID 17136642) is 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide is C=CCn1c(CC)nnc1SCCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
The InChIKey is XXFJYYLDGIFPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-3-13-24-18(4-2)22-23-20(24)26-14-12-19(25)21-17-11-7-9-15-8-5-6-10-16(15)17/h3,5-11H,1,4,12-14H2,2H3,(H,21,25).
What are the key properties of 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide?
3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide has a molecular weight of 366.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 17136642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).