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

C14H22N4OS — CID 649215

IUPACN-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(C2CCCC2)n1)NC1CCCC1
InChIInChI=1S/C14H22N4OS/c19-12(15-11-7-3-4-8-11)9-20-14-16-13(17-18-14)10-5-1-2-6-10/h10-11H,1-9H2,(H,15,19)(H,16,17,18)
InChIKeyMPSMKGMKXNBOLW-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.61
Rot. Bonds5

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

N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 649215) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID649215
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(C2CCCC2)n1)NC1CCCC1
InChIInChI=1S/C14H22N4OS/c19-12(15-11-7-3-4-8-11)9-20-14-16-13(17-18-14)10-5-1-2-6-10/h10-11H,1-9H2,(H,15,19)(H,16,17,18)
InChIKeyMPSMKGMKXNBOLW-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451346
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 2601930
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 24819949
N-Cyclopentyl-2-(4-ethyl-5-isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 855201
N-Cyclopentyl-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 855224
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 24979817
N-cyclohexyl-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2208553
2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 24685598
2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 2171240
2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]-N-[(2R)-2-pyrrolidinylmethyl]acetamide hydrochloride
CID 46984818
N-cyclohexyl-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 724559
2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18141292

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 649215) is N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(C2CCCC2)n1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MPSMKGMKXNBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c19-12(15-11-7-3-4-8-11)9-20-14-16-13(17-18-14)10-5-1-2-6-10/h10-11H,1-9H2,(H,15,19)(H,16,17,18).
What are the key properties of N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 649215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).