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

C14H22N4OS — CID 18158246

IUPACN-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)N(CC)C2=CCCC2)n[nH]1
InChIInChI=1S/C14H22N4OS/c1-3-7-12-15-14(17-16-12)20-10-13(19)18(4-2)11-8-5-6-9-11/h8H,3-7,9-10H2,1-2H3,(H,15,16,17)
InChIKeyJITKZPHKWLLTEI-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.77
Rot. Bonds7

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

N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 18158246) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID18158246
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)N(CC)C2=CCCC2)n[nH]1
InChIInChI=1S/C14H22N4OS/c1-3-7-12-15-14(17-16-12)20-10-13(19)18(4-2)11-8-5-6-9-11/h8H,3-7,9-10H2,1-2H3,(H,15,16,17)
InChIKeyJITKZPHKWLLTEI-UHFFFAOYSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 18158246) is N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCc1nc(SCC(=O)N(CC)C2=CCCC2)n[nH]1.
What is the InChIKey of N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is JITKZPHKWLLTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-7-12-15-14(17-16-12)20-10-13(19)18(4-2)11-8-5-6-9-11/h8H,3-7,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-N-ethyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 18158246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).