2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide

C19H20N4O2S — CID 17457533

IUPAC2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1n[nH]c(=O)n1C1CC1)c1cccc2ccccc12
InChIInChI=1S/C19H20N4O2S/c1-2-22(16-9-5-7-13-6-3-4-8-15(13)16)17(24)12-26-19-21-20-18(25)23(19)14-10-11-14/h3-9,14H,2,10-12H2,1H3,(H,20,25)
InChIKeySIASASQVIPRONU-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.20
Rot. Bonds6

About 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide

2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide (PubChem CID 17457533) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide
PubChem CID17457533
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1n[nH]c(=O)n1C1CC1)c1cccc2ccccc12
InChIInChI=1S/C19H20N4O2S/c1-2-22(16-9-5-7-13-6-3-4-8-15(13)16)17(24)12-26-19-21-20-18(25)23(19)14-10-11-14/h3-9,14H,2,10-12H2,1H3,(H,20,25)
InChIKeySIASASQVIPRONU-UHFFFAOYSA-N
XLogP3.20
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide (CID 17457533) is 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide is CCN(C(=O)CSc1n[nH]c(=O)n1C1CC1)c1cccc2ccccc12.
What is the InChIKey of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide?
The InChIKey is SIASASQVIPRONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-22(16-9-5-7-13-6-3-4-8-15(13)16)17(24)12-26-19-21-20-18(25)23(19)14-10-11-14/h3-9,14H,2,10-12H2,1H3,(H,20,25).
What are the key properties of 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide?
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide has a molecular weight of 368.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 17457533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).