1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide

C14H15NO3S — CID 115633303

IUPAC1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
SMILESCS(=O)CCNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C14H15NO3S/c1-19(18)9-8-15-14(17)12-7-6-10-4-2-3-5-11(10)13(12)16/h2-7,16H,8-9H2,1H3,(H,15,17)
InChIKeyGOHICXGLDOQTIH-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.65
Rot. Bonds4

About 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide

1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide (PubChem CID 115633303) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
PubChem CID115633303
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
SMILESCS(=O)CCNC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C14H15NO3S/c1-19(18)9-8-15-14(17)12-7-6-10-4-2-3-5-11(10)13(12)16/h2-7,16H,8-9H2,1H3,(H,15,17)
InChIKeyGOHICXGLDOQTIH-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
CID 115650076
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
CID 104582523
1-hydroxy-N-(5-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 103864730
N-(2-cyclopentylethyl)-1-hydroxynaphthalene-2-carboxamide
CID 63524506
1-(methylamino)-N-(2-methylsulfinylethyl)isoquinoline-4-carboxamide
CID 106772837
1-chloro-N-(2-methylsulfinylethyl)isoquinoline-3-carboxamide
CID 113276462
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide (CID 115633303) is 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide is CS(=O)CCNC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide?
The InChIKey is GOHICXGLDOQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-19(18)9-8-15-14(17)12-7-6-10-4-2-3-5-11(10)13(12)16/h2-7,16H,8-9H2,1H3,(H,15,17).
What are the key properties of 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide?
1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115633303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).