1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide

C17H15NO3S — CID 111441757

IUPAC1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H15NO3S/c19-15(12-7-8-22-10-12)9-18-17(21)14-6-5-11-3-1-2-4-13(11)16(14)20/h1-8,10,15,19-20H,9H2,(H,18,21)
InChIKeyWJILFAMAEWKQSX-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.07
Rot. Bonds4

About 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide

1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide (PubChem CID 111441757) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
PubChem CID111441757
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc2ccccc2c1O
InChIInChI=1S/C17H15NO3S/c19-15(12-7-8-22-10-12)9-18-17(21)14-6-5-11-3-1-2-4-13(11)16(14)20/h1-8,10,15,19-20H,9H2,(H,18,21)
InChIKeyWJILFAMAEWKQSX-UHFFFAOYSA-N
XLogP3.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 90496477
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-naphthalen-1-ylethyl)urea
CID 111440872
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 90496484

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide (CID 111441757) is 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide is O=C(NCC(O)c1ccsc1)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide?
The InChIKey is WJILFAMAEWKQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-15(12-7-8-22-10-12)9-18-17(21)14-6-5-11-3-1-2-4-13(11)16(14)20/h1-8,10,15,19-20H,9H2,(H,18,21).
What are the key properties of 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide?
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 111441757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).