N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide

C21H22N2O4S — CID 108759091

IUPACN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O4S/c1-27-14-13-23-28(25,26)18-11-9-16(10-12-18)15-22-21(24)20-8-4-6-17-5-2-3-7-19(17)20/h2-12,23H,13-15H2,1H3,(H,22,24)
InChIKeyAOHANQDXUUZQOD-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.69
Rot. Bonds8

About N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide (PubChem CID 108759091) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
PubChem CID108759091
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H22N2O4S/c1-27-14-13-23-28(25,26)18-11-9-16(10-12-18)15-22-21(24)20-8-4-6-17-5-2-3-7-19(17)20/h2-12,23H,13-15H2,1H3,(H,22,24)
InChIKeyAOHANQDXUUZQOD-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108736020
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 108736019
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
CID 108573152
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide (CID 108759091) is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide is COCCNS(=O)(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide?
The InChIKey is AOHANQDXUUZQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-27-14-13-23-28(25,26)18-11-9-16(10-12-18)15-22-21(24)20-8-4-6-17-5-2-3-7-19(17)20/h2-12,23H,13-15H2,1H3,(H,22,24).
What are the key properties of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide?
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108759091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).