N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C15H15NO2S — CID 597004

IUPACN-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1scc2c1CCCC2
InChIInChI=1S/C15H15NO2S/c17-12-6-3-5-11(8-12)16-15(18)14-13-7-2-1-4-10(13)9-19-14/h3,5-6,8-9,17H,1-2,4,7H2,(H,16,18)
InChIKeyZGNBXTUZOQIRDE-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.58
Rot. Bonds2

About N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 597004) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID597004
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1scc2c1CCCC2
InChIInChI=1S/C15H15NO2S/c17-12-6-3-5-11(8-12)16-15(18)14-13-7-2-1-4-10(13)9-19-14/h3,5-6,8-9,17H,1-2,4,7H2,(H,16,18)
InChIKeyZGNBXTUZOQIRDE-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155565438
N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 821304
N-{4-[(4-hydroxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide
CID 880338
N-[3-[(3-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 869374
N-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 969593
N-[4-[(3-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 976646
N-(3-hydroxyphenyl)-4-{[(phenylthio)acetyl]amino}benzamide
CID 1287668
N-[4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 155554859
N,5-bis(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196494
5-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196496
N-(3-hydroxyphenyl)-N-methyl-5-phenylthiophene-2-carboxamide
CID 60196498
N-(3-fluorophenyl)-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 137501923

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 597004) is N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is O=C(Nc1cccc(O)c1)c1scc2c1CCCC2.
What is the InChIKey of N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is ZGNBXTUZOQIRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-12-6-3-5-11(8-12)16-15(18)14-13-7-2-1-4-10(13)9-19-14/h3,5-6,8-9,17H,1-2,4,7H2,(H,16,18).
What are the key properties of N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 597004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).