N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide

C19H24N2O5S — CID 109059892

IUPACN-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-13-3-12-21-27(23,24)18-10-6-16(7-11-18)19(22)20-14-15-4-8-17(26-2)9-5-15/h4-11,21H,3,12-14H2,1-2H3,(H,20,22)
InChIKeyAPTRFYDOSGCZHR-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.94
Rot. Bonds10

About N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide

N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide (PubChem CID 109059892) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
PubChem CID109059892
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-13-3-12-21-27(23,24)18-10-6-16(7-11-18)19(22)20-14-15-4-8-17(26-2)9-5-15/h4-11,21H,3,12-14H2,1-2H3,(H,20,22)
InChIKeyAPTRFYDOSGCZHR-UHFFFAOYSA-N
XLogP1.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.94
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

N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
N-(3-methoxypropyl)-4-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109059815
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide (CID 109059892) is N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide is COCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide?
The InChIKey is APTRFYDOSGCZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-25-13-3-12-21-27(23,24)18-10-6-16(7-11-18)19(22)20-14-15-4-8-17(26-2)9-5-15/h4-11,21H,3,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide?
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide is sourced from PubChem (CID 109059892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).