3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide

C19H17NO4S — CID 9071032

IUPAC3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C19H17NO4S/c1-24-18-11-14-7-4-3-6-13(14)10-17(18)19(21)20-15-8-5-9-16(12-15)25(2,22)23/h3-12H,1-2H3,(H,20,21)
InChIKeyGOOBCZOGNFLKBL-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.50
Rot. Bonds4

About 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide

3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide (PubChem CID 9071032) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
PubChem CID9071032
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C19H17NO4S/c1-24-18-11-14-7-4-3-6-13(14)10-17(18)19(21)20-15-8-5-9-16(12-15)25(2,22)23/h3-12H,1-2H3,(H,20,21)
InChIKeyGOOBCZOGNFLKBL-UHFFFAOYSA-N
XLogP3.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
CID 90010848
N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17439182
N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide
CID 9093791
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 23118707
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
5-ethoxy-4-methoxy-N-(3-methylsulfonylphenyl)-2-nitrobenzamide
CID 26975903
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide (CID 9071032) is 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide?
The InChIKey is GOOBCZOGNFLKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-24-18-11-14-7-4-3-6-13(14)10-17(18)19(21)20-15-8-5-9-16(12-15)25(2,22)23/h3-12H,1-2H3,(H,20,21).
What are the key properties of 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide?
3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 9071032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).