N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide

C20H19NO4S — CID 51317141

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc2cc(CNC(=O)c3cccc(S(C)(=O)=O)c3)ccc2c1
InChIInChI=1S/C20H19NO4S/c1-25-18-9-8-15-10-14(6-7-16(15)11-18)13-21-20(22)17-4-3-5-19(12-17)26(2,23)24/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyZTYZCYUYLPKYFK-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.18
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide

N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide (PubChem CID 51317141) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
PubChem CID51317141
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc2cc(CNC(=O)c3cccc(S(C)(=O)=O)c3)ccc2c1
InChIInChI=1S/C20H19NO4S/c1-25-18-9-8-15-10-14(6-7-16(15)11-18)13-21-20(22)17-4-3-5-19(12-17)26(2,23)24/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyZTYZCYUYLPKYFK-UHFFFAOYSA-N
XLogP3.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 24598977
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-methylsulfonylbenzamide
CID 26454671
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide (CID 51317141) is N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide is COc1ccc2cc(CNC(=O)c3cccc(S(C)(=O)=O)c3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide?
The InChIKey is ZTYZCYUYLPKYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-25-18-9-8-15-10-14(6-7-16(15)11-18)13-21-20(22)17-4-3-5-19(12-17)26(2,23)24/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide has a molecular weight of 369.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 51317141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).