N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide

C14H21NO2S — CID 65118919

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC2(O)CCC(C)CC2)s1
InChIInChI=1S/C14H21NO2S/c1-10-5-7-14(17,8-6-10)9-15-13(16)12-4-3-11(2)18-12/h3-4,10,17H,5-9H2,1-2H3,(H,15,16)
InChIKeyDFCHEPJWVQTJQX-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.73
Rot. Bonds3

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 65118919) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID65118919
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC2(O)CCC(C)CC2)s1
InChIInChI=1S/C14H21NO2S/c1-10-5-7-14(17,8-6-10)9-15-13(16)12-4-3-11(2)18-12/h3-4,10,17H,5-9H2,1-2H3,(H,15,16)
InChIKeyDFCHEPJWVQTJQX-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119545
N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
CID 61120141
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772793
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 65120092
1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362670
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65119825
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 103403171
5-(cyclopropanecarbonylamino)-N-[(1-hydroxycyclobutyl)methyl]thiophene-2-carboxamide
CID 115668905

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide (CID 65118919) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC2(O)CCC(C)CC2)s1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is DFCHEPJWVQTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-5-7-14(17,8-6-10)9-15-13(16)12-4-3-11(2)18-12/h3-4,10,17H,5-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 65118919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).