N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H15NO2S — CID 107735819

IUPACN-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2S1)c1cccc(O)c1
InChIInChI=1S/C16H15NO2S/c1-17(12-6-4-7-13(18)10-12)16(19)15-9-11-5-2-3-8-14(11)20-15/h2-8,10,15,18H,9H2,1H3
InChIKeyINUHZEOPBBWCFX-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.07
Rot. Bonds2

About N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 107735819) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID107735819
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C(=O)C1Cc2ccccc2S1)c1cccc(O)c1
InChIInChI=1S/C16H15NO2S/c1-17(12-6-4-7-13(18)10-12)16(19)15-9-11-5-2-3-8-14(11)20-15/h2-8,10,15,18H,9H2,1H3
InChIKeyINUHZEOPBBWCFX-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217681
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
methyl (2R)-3-[[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]-methylamino]-2-methylpropanoate
CID 94250151
N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119443019
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214070
(1S,6R)-6-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107734001
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
N-(2,3-dimethylphenyl)-N,6-dimethyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 166187272
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214197
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214789
N-(2-bromoethyl)-N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 80661402

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 107735819) is N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is CN(C(=O)C1Cc2ccccc2S1)c1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is INUHZEOPBBWCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-17(12-6-4-7-13(18)10-12)16(19)15-9-11-5-2-3-8-14(11)20-15/h2-8,10,15,18H,9H2,1H3.
What are the key properties of N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107735819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).