N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide

C19H28N4OS2 — CID 55396095

IUPACN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCCCc2nnc(SC)n2C2CCCC2)sc1C
InChIInChI=1S/C19H28N4OS2/c1-4-14-12-16(26-13(14)2)18(24)20-11-7-10-17-21-22-19(25-3)23(17)15-8-5-6-9-15/h12,15H,4-11H2,1-3H3,(H,20,24)
InChIKeyKCBCNZYUFFCMDM-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.41
Rot. Bonds8

About N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 55396095) has the molecular formula C19H28N4OS2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID55396095
Molecular FormulaC19H28N4OS2
Molecular Weight392.59 g/mol
Exact Mass392.17
IUPAC NameN-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCCCc2nnc(SC)n2C2CCCC2)sc1C
InChIInChI=1S/C19H28N4OS2/c1-4-14-12-16(26-13(14)2)18(24)20-11-7-10-17-21-22-19(25-3)23(17)15-8-5-6-9-15/h12,15H,4-11H2,1-3H3,(H,20,24)
InChIKeyKCBCNZYUFFCMDM-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide (CID 55396095) is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCCCc2nnc(SC)n2C2CCCC2)sc1C.
What is the InChIKey of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is KCBCNZYUFFCMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS2/c1-4-14-12-16(26-13(14)2)18(24)20-11-7-10-17-21-22-19(25-3)23(17)15-8-5-6-9-15/h12,15H,4-11H2,1-3H3,(H,20,24).
What are the key properties of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide?
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 392.59 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 55396095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).