3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide

C16H19NO2S — CID 115604498

IUPAC3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
SMILESCSC(C)CCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H19NO2S/c1-11(20-2)7-8-17-16(19)14-9-12-5-3-4-6-13(12)10-15(14)18/h3-6,9-11,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyWTINJBPYPDTLMT-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.42
Rot. Bonds5

About 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide

3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide (PubChem CID 115604498) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
PubChem CID115604498
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
SMILESCSC(C)CCNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H19NO2S/c1-11(20-2)7-8-17-16(19)14-9-12-5-3-4-6-13(12)10-15(14)18/h3-6,9-11,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyWTINJBPYPDTLMT-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
CID 113434734
3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 115665358
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
3-bromo-2-methyl-N-(3-methylsulfanylbutyl)benzamide
CID 115659875
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
N-(2-cyclopropylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 115591184
3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
CID 57112556

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide (CID 115604498) is 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide is CSC(C)CCNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide?
The InChIKey is WTINJBPYPDTLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11(20-2)7-8-17-16(19)14-9-12-5-3-4-6-13(12)10-15(14)18/h3-6,9-11,18H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide?
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115604498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).