2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide

C17H30N4OS — CID 134038561

IUPAC2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C17H30N4OS/c1-5-17(3,4)19-15(22)12(2)23-16-18-14(20-21-16)11-10-13-8-6-7-9-13/h12-13H,5-11H2,1-4H3,(H,19,22)(H,18,20,21)
InChIKeyYHFYVCQATLNNLG-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.71
Rot. Bonds8

About 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide

2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 134038561) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID134038561
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1n[nH]c(CCC2CCCC2)n1
InChIInChI=1S/C17H30N4OS/c1-5-17(3,4)19-15(22)12(2)23-16-18-14(20-21-16)11-10-13-8-6-7-9-13/h12-13H,5-11H2,1-4H3,(H,19,22)(H,18,20,21)
InChIKeyYHFYVCQATLNNLG-UHFFFAOYSA-N
XLogP3.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide (CID 134038561) is 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Sc1n[nH]c(CCC2CCCC2)n1.
What is the InChIKey of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is YHFYVCQATLNNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-5-17(3,4)19-15(22)12(2)23-16-18-14(20-21-16)11-10-13-8-6-7-9-13/h12-13H,5-11H2,1-4H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide?
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 338.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 134038561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).