N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C13H21N5O3S — CID 2576677

IUPACN-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC(=O)NC2CCCC2)n[nH]c1=O
InChIInChI=1S/C13H21N5O3S/c1-2-7-18-12(21)16-17-13(18)22-8-10(19)15-11(20)14-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,16,21)(H2,14,15,19,20)
InChIKeyNYHNRAKHEPUGJO-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.84
Rot. Bonds6

About N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2576677) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2576677
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC(=O)NC2CCCC2)n[nH]c1=O
InChIInChI=1S/C13H21N5O3S/c1-2-7-18-12(21)16-17-13(18)22-8-10(19)15-11(20)14-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,16,21)(H2,14,15,19,20)
InChIKeyNYHNRAKHEPUGJO-UHFFFAOYSA-N
XLogP0.84
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2576677) is N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)NC(=O)NC2CCCC2)n[nH]c1=O.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is NYHNRAKHEPUGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-2-7-18-12(21)16-17-13(18)22-8-10(19)15-11(20)14-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,16,21)(H2,14,15,19,20).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2576677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).