N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide

C19H16N2O2S — CID 85370731

IUPACN-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide
SMILESCOc1ccc2ccccc2c1S(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C19H16N2O2S/c1-23-18-12-11-14-7-5-6-10-16(14)19(18)24(22)21-17(13-20)15-8-3-2-4-9-15/h2-12,17,21H,1H3
InChIKeyHBCJJZQOXSVFRI-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.73
Rot. Bonds5

About N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide

N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide (PubChem CID 85370731) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide
PubChem CID85370731
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide
SMILESCOc1ccc2ccccc2c1S(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C19H16N2O2S/c1-23-18-12-11-14-7-5-6-10-16(14)19(18)24(22)21-17(13-20)15-8-3-2-4-9-15/h2-12,17,21H,1H3
InChIKeyHBCJJZQOXSVFRI-UHFFFAOYSA-N
XLogP3.73
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxynaphthalene-1-sulfinic acid
CID 1484864
(R)-2-methoxynaphthalene-1-sulfinamide
CID 40542898
N-[cyano(phenyl)methyl]methanesulfinamide
CID 118587949
(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide
CID 11875077
2-[hydroxy-(2-methoxynaphthalen-1-yl)methyl]butanenitrile
CID 79130715
(Z,1R)-2-(2-methoxynaphthalen-1-yl)sulfinyl-1-phenylhept-2-en-1-ol
CID 102246508
1-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]-2-phenylaziridine
CID 134924826
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile
CID 16736122
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
CID 171260616
1-benzyl-4-[(S)-(2-methoxynaphthalen-1-yl)sulfinyl]piperazine
CID 28921899
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide (CID 85370731) is N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide is COc1ccc2ccccc2c1S(=O)NC(C#N)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide?
The InChIKey is HBCJJZQOXSVFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-18-12-11-14-7-5-6-10-16(14)19(18)24(22)21-17(13-20)15-8-3-2-4-9-15/h2-12,17,21H,1H3.
What are the key properties of N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide?
N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide has a molecular weight of 336.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-2-methoxynaphthalene-1-sulfinamide is sourced from PubChem (CID 85370731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).