2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide

C20H25N3O5S — CID 34731063

IUPAC2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c1
InChIInChI=1S/C20H25N3O5S/c1-14(2)13-21-20(25)17-10-5-6-11-18(17)22-19(24)15-8-7-9-16(12-15)29(26,27)23(3)28-4/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyMRYSZCCMDOIWDO-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.51
Rot. Bonds8

About 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide

2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 34731063) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID34731063
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c1
InChIInChI=1S/C20H25N3O5S/c1-14(2)13-21-20(25)17-10-5-6-11-18(17)22-19(24)15-8-7-9-16(12-15)29(26,27)23(3)28-4/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyMRYSZCCMDOIWDO-UHFFFAOYSA-N
XLogP2.51
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.51
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

2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
methyl 2-[[3-(2-methylpropylsulfamoyl)benzoyl]amino]benzoate
CID 109062752
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 4143005
3-[methoxy(methyl)sulfamoyl]-N-(6-methylheptan-2-yl)benzamide
CID 51204934
2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92664179
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide (CID 34731063) is 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c1.
What is the InChIKey of 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is MRYSZCCMDOIWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-14(2)13-21-20(25)17-10-5-6-11-18(17)22-19(24)15-8-7-9-16(12-15)29(26,27)23(3)28-4/h5-12,14H,13H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide?
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 419.50 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 34731063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).