N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide

C16H17NO2S2 — CID 115687797

IUPACN-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(NCC1CSCCS1)c1ccc2ccccc2c1O
InChIInChI=1S/C16H17NO2S2/c18-15-13-4-2-1-3-11(13)5-6-14(15)16(19)17-9-12-10-20-7-8-21-12/h1-6,12,18H,7-10H2,(H,17,19)
InChIKeyNLWZFLANOGXLBN-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.12
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide

N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide (PubChem CID 115687797) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide
PubChem CID115687797
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC NameN-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(NCC1CSCCS1)c1ccc2ccccc2c1O
InChIInChI=1S/C16H17NO2S2/c18-15-13-4-2-1-3-11(13)5-6-14(15)16(19)17-9-12-10-20-7-8-21-12/h1-6,12,18H,7-10H2,(H,17,19)
InChIKeyNLWZFLANOGXLBN-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1,4-dithian-2-ylmethyl)benzamide
CID 115684611
N-(1,4-dithian-2-ylmethyl)-2-fluoro-4-hydroxybenzamide
CID 113355825
N-(1,4-dithian-2-ylmethyl)-1H-indole-7-carboxamide
CID 115686996
5-bromo-N-(1,4-dithian-2-ylmethyl)-2-hydroxybenzamide
CID 103741677
4-amino-N-(1,4-dithian-2-ylmethyl)quinoline-2-carboxamide
CID 115752010
6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 119999138
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridine-3-carboxamide
CID 115687003
5-chloro-N-(1,4-dithian-2-ylmethyl)-2-fluorobenzamide
CID 115684594
2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
CID 119788268
N-(2-cyclopentylethyl)-1-hydroxynaphthalene-2-carboxamide
CID 63524506
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
3-chloro-N-(1,4-dithian-2-ylmethyl)-2-nitrobenzamide
CID 115686974

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide (CID 115687797) is N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide is O=C(NCC1CSCCS1)c1ccc2ccccc2c1O.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is NLWZFLANOGXLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c18-15-13-4-2-1-3-11(13)5-6-14(15)16(19)17-9-12-10-20-7-8-21-12/h1-6,12,18H,7-10H2,(H,17,19).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide?
N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 115687797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).