3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide

C20H19NO4S — CID 18093536

IUPAC3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H19NO4S/c1-3-25-19-13-15-7-5-4-6-14(15)12-18(19)20(22)21-16-8-10-17(11-9-16)26(2,23)24/h4-13H,3H2,1-2H3,(H,21,22)
InChIKeyWKDGIAGNDFCJHE-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.89
Rot. Bonds5

About 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide

3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide (PubChem CID 18093536) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
PubChem CID18093536
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H19NO4S/c1-3-25-19-13-15-7-5-4-6-14(15)12-18(19)20(22)21-16-8-10-17(11-9-16)26(2,23)24/h4-13H,3H2,1-2H3,(H,21,22)
InChIKeyWKDGIAGNDFCJHE-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 9071032
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 8745831
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
1-(4-chlorophenyl)-3-[(3-ethoxynaphthalene-2-carbonyl)amino]thiourea
CID 142738438
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 17427772
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide (CID 18093536) is 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide is CCOc1cc2ccccc2cc1C(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide?
The InChIKey is WKDGIAGNDFCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-3-25-19-13-15-7-5-4-6-14(15)12-18(19)20(22)21-16-8-10-17(11-9-16)26(2,23)24/h4-13H,3H2,1-2H3,(H,21,22).
What are the key properties of 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide?
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 18093536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).