N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide

C13H19NO2S — CID 56764280

IUPACN-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)C1CCCCC1)c1cccs1
InChIInChI=1S/C13H19NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h4,7-8,10-11,15H,1-3,5-6,9H2,(H,14,16)
InChIKeyJZABVORUIQFIPQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.42
Rot. Bonds4

About N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide

N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 56764280) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID56764280
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)C1CCCCC1)c1cccs1
InChIInChI=1S/C13H19NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h4,7-8,10-11,15H,1-3,5-6,9H2,(H,14,16)
InChIKeyJZABVORUIQFIPQ-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide (CID 56764280) is N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide is O=C(NCC(O)C1CCCCC1)c1cccs1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is JZABVORUIQFIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h4,7-8,10-11,15H,1-3,5-6,9H2,(H,14,16).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide?
N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 56764280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).