1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide

C17H19NO2S — CID 107299334

IUPAC1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide
SMILESCSC1(CNC(=O)c2ccc3ccccc3c2O)CCC1
InChIInChI=1S/C17H19NO2S/c1-21-17(9-4-10-17)11-18-16(20)14-8-7-12-5-2-3-6-13(12)15(14)19/h2-3,5-8,19H,4,9-11H2,1H3,(H,18,20)
InChIKeyYGABSKKEDWETSH-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.56
Rot. Bonds4

About 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide

1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide (PubChem CID 107299334) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide
PubChem CID107299334
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide
SMILESCSC1(CNC(=O)c2ccc3ccccc3c2O)CCC1
InChIInChI=1S/C17H19NO2S/c1-21-17(9-4-10-17)11-18-16(20)14-8-7-12-5-2-3-6-13(12)15(14)19/h2-3,5-8,19H,4,9-11H2,1H3,(H,18,20)
InChIKeyYGABSKKEDWETSH-UHFFFAOYSA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
CID 114115942
2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114116099
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 114117442
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
N-(2-cyclopentylethyl)-1-hydroxynaphthalene-2-carboxamide
CID 63524506
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 115633303
3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
CID 107271657
2-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitrobenzamide
CID 107271630
4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide (CID 107299334) is 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide is CSC1(CNC(=O)c2ccc3ccccc3c2O)CCC1.
What is the InChIKey of 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide?
The InChIKey is YGABSKKEDWETSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-21-17(9-4-10-17)11-18-16(20)14-8-7-12-5-2-3-6-13(12)15(14)19/h2-3,5-8,19H,4,9-11H2,1H3,(H,18,20).
What are the key properties of 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide?
1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 107299334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).