N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C16H16N4OS — CID 2360235

IUPACN-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1ncn[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H16N4OS/c1-2-20(15(21)10-22-16-17-11-18-19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,17,18,19)
InChIKeyCEFFLKJSTJCDQN-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2360235) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2360235
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1ncn[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H16N4OS/c1-2-20(15(21)10-22-16-17-11-18-19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,17,18,19)
InChIKeyCEFFLKJSTJCDQN-UHFFFAOYSA-N
XLogP3.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2360235) is N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CCN(C(=O)CSc1ncn[nH]1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is CEFFLKJSTJCDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-20(15(21)10-22-16-17-11-18-19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,2,10H2,1H3,(H,17,18,19).
What are the key properties of N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2360235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).