3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide

C16H19NO2S — CID 115665358

IUPAC3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
SMILESCSC(C)(C)CNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H19NO2S/c1-16(2,20-3)10-17-15(19)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,18H,10H2,1-3H3,(H,17,19)
InChIKeyLNTWBRLRRSTVNZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.42
Rot. Bonds4

About 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide

3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide (PubChem CID 115665358) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
PubChem CID115665358
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
SMILESCSC(C)(C)CNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H19NO2S/c1-16(2,20-3)10-17-15(19)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,18H,10H2,1-3H3,(H,17,19)
InChIKeyLNTWBRLRRSTVNZ-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)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-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 43403898
4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113342883
N-(2-methyl-2-methylsulfanylpropyl)-1H-indole-3-carboxamide
CID 115665104
3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115665361
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
2-amino-5-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478497
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
CID 106854343

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide (CID 115665358) is 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide is CSC(C)(C)CNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide?
The InChIKey is LNTWBRLRRSTVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(2,20-3)10-17-15(19)13-8-11-6-4-5-7-12(11)9-14(13)18/h4-9,18H,10H2,1-3H3,(H,17,19).
What are the key properties of 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide?
3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115665358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).