3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide

C14H20ClNO2S — CID 103403171

IUPAC3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC2(O)CCC(C)CC2)c1Cl
InChIInChI=1S/C14H20ClNO2S/c1-9-3-5-14(18,6-4-9)8-16-13(17)12-11(15)10(2)7-19-12/h7,9,18H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyAKNJDCUIAQPYCH-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.38
Rot. Bonds3

About 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide

3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide (PubChem CID 103403171) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
PubChem CID103403171
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC2(O)CCC(C)CC2)c1Cl
InChIInChI=1S/C14H20ClNO2S/c1-9-3-5-14(18,6-4-9)8-16-13(17)12-11(15)10(2)7-19-12/h7,9,18H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyAKNJDCUIAQPYCH-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide (CID 103403171) is 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC2(O)CCC(C)CC2)c1Cl.
What is the InChIKey of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is AKNJDCUIAQPYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-9-3-5-14(18,6-4-9)8-16-13(17)12-11(15)10(2)7-19-12/h7,9,18H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide?
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 301.84 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103403171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).