4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide

C26H27N3O4S — CID 38371513

IUPAC4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2)cc1C
InChIInChI=1S/C26H27N3O4S/c1-17-3-10-22(15-18(17)2)28-34(32,33)24-13-8-21(9-14-24)26(31)29(23-11-12-23)16-19-4-6-20(7-5-19)25(27)30/h3-10,13-15,23,28H,11-12,16H2,1-2H3,(H2,27,30)
InChIKeyFMQPYLOBMZSTRK-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.01
Rot. Bonds8

About 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide

4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide (PubChem CID 38371513) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide
PubChem CID38371513
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2)cc1C
InChIInChI=1S/C26H27N3O4S/c1-17-3-10-22(15-18(17)2)28-34(32,33)24-13-8-21(9-14-24)26(31)29(23-11-12-23)16-19-4-6-20(7-5-19)25(27)30/h3-10,13-15,23,28H,11-12,16H2,1-2H3,(H2,27,30)
InChIKeyFMQPYLOBMZSTRK-UHFFFAOYSA-N
XLogP4.01
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 55488324
4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
CID 38371562
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 26426471
N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 38252606
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844154
4-[(3,4-dimethylphenyl)sulfamoyl]-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 78796492
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide (CID 38371513) is 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2)cc1C.
What is the InChIKey of 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide?
The InChIKey is FMQPYLOBMZSTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-17-3-10-22(15-18(17)2)28-34(32,33)24-13-8-21(9-14-24)26(31)29(23-11-12-23)16-19-4-6-20(7-5-19)25(27)30/h3-10,13-15,23,28H,11-12,16H2,1-2H3,(H2,27,30).
What are the key properties of 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide?
4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide has a molecular weight of 477.59 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 38371513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).