N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide

C12H17NO3S — CID 78945845

IUPACN-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H17NO3S/c1-16-10-6-7-17-11(10)12(15)13-8-2-4-9(14)5-3-8/h6-9,14H,2-5H2,1H3,(H,13,15)
InChIKeyHSWRWMHQLCDEQQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.79
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide

N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide (PubChem CID 78945845) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide
PubChem CID78945845
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H17NO3S/c1-16-10-6-7-17-11(10)12(15)13-8-2-4-9(14)5-3-8/h6-9,14H,2-5H2,1H3,(H,13,15)
InChIKeyHSWRWMHQLCDEQQ-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide (CID 78945845) is N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is HSWRWMHQLCDEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-10-6-7-17-11(10)12(15)13-8-2-4-9(14)5-3-8/h6-9,14H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide?
N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 78945845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).