N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide

C18H22N2O5S — CID 109063631

IUPACN-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H22N2O5S/c1-24-11-10-19-18(21)14-7-5-8-16(12-14)26(22,23)20-13-15-6-3-4-9-17(15)25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,19,21)
InChIKeyFYCYIKOCIOCVQS-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.55
Rot. Bonds9

About N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide

N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide (PubChem CID 109063631) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
PubChem CID109063631
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOCCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H22N2O5S/c1-24-11-10-19-18(21)14-7-5-8-16(12-14)26(22,23)20-13-15-6-3-4-9-17(15)25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,19,21)
InChIKeyFYCYIKOCIOCVQS-UHFFFAOYSA-N
XLogP1.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide (CID 109063631) is N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide is COCCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The InChIKey is FYCYIKOCIOCVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-11-10-19-18(21)14-7-5-8-16(12-14)26(22,23)20-13-15-6-3-4-9-17(15)25-2/h3-9,12,20H,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109063631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).