N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide

C20H19NO3S — CID 60535333

IUPACN-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO3S/c1-25(23,24)14-16-11-9-15(10-12-16)13-21-20(22)19-8-4-6-17-5-2-3-7-18(17)19/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyBVQVJDKSTFRAFJ-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.31
Rot. Bonds5

About N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide

N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide (PubChem CID 60535333) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
PubChem CID60535333
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO3S/c1-25(23,24)14-16-11-9-15(10-12-16)13-21-20(22)19-8-4-6-17-5-2-3-7-18(17)19/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyBVQVJDKSTFRAFJ-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55898961
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
2-(2-chlorophenyl)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]acetamide
CID 47063616
tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid
CID 68877183
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 10645141
(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55898962
4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide
CID 46442591
N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide
CID 139029465
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide (CID 60535333) is N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide is CS(=O)(=O)Cc1ccc(CNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide?
The InChIKey is BVQVJDKSTFRAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-25(23,24)14-16-11-9-15(10-12-16)13-21-20(22)19-8-4-6-17-5-2-3-7-18(17)19/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide?
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 60535333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).