N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide

C17H21NO2S — CID 103690758

IUPACN-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCC(O)C2)sc2ccccc12
InChIInChI=1S/C17H21NO2S/c1-11-14-7-2-3-8-15(14)21-16(11)17(20)18-10-12-5-4-6-13(19)9-12/h2-3,7-8,12-13,19H,4-6,9-10H2,1H3,(H,18,20)
InChIKeyYOFUHWJJQBNNHC-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.49
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 103690758) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID103690758
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC2CCCC(O)C2)sc2ccccc12
InChIInChI=1S/C17H21NO2S/c1-11-14-7-2-3-8-15(14)21-16(11)17(20)18-10-12-5-4-6-13(19)9-12/h2-3,7-8,12-13,19H,4-6,9-10H2,1H3,(H,18,20)
InChIKeyYOFUHWJJQBNNHC-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 103690934
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 66004913
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
3-amino-N-[(2-methylcyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 107421061
5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119460953
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 8533507

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 103690758) is N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCC2CCCC(O)C2)sc2ccccc12.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is YOFUHWJJQBNNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-11-14-7-2-3-8-15(14)21-16(11)17(20)18-10-12-5-4-6-13(19)9-12/h2-3,7-8,12-13,19H,4-6,9-10H2,1H3,(H,18,20).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103690758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).