N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide

C24H25N3O5S — CID 55693616

IUPACN-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O5S/c1-17(19-11-7-13-21(15-19)26-23(28)18-9-5-4-6-10-18)25-24(29)20-12-8-14-22(16-20)33(30,31)27(2)32-3/h4-17H,1-3H3,(H,25,29)(H,26,28)
InChIKeyXFJDPLUBSGNSFY-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.61
Rot. Bonds8

About N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide

N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55693616) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55693616
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O5S/c1-17(19-11-7-13-21(15-19)26-23(28)18-9-5-4-6-10-18)25-24(29)20-12-8-14-22(16-20)33(30,31)27(2)32-3/h4-17H,1-3H3,(H,25,29)(H,26,28)
InChIKeyXFJDPLUBSGNSFY-UHFFFAOYSA-N
XLogP3.61
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18131655
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46421231
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
(1-anilino-1-oxopropan-2-yl) 3-[methoxy(methyl)sulfamoyl]benzoate
CID 18199659
N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9191609
3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
CID 51204934
3-[(3-nitrobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40740169
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide (CID 55693616) is N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)NC(C)c2cccc(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is XFJDPLUBSGNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17(19-11-7-13-21(15-19)26-23(28)18-9-5-4-6-10-18)25-24(29)20-12-8-14-22(16-20)33(30,31)27(2)32-3/h4-17H,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 467.55 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55693616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).