3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide

C20H23N3O4S — CID 55656434

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)c1
InChIInChI=1S/C20H23N3O4S/c1-13-9-18(13)20(25)23-16-7-4-6-15(11-16)19(24)22-12-14-5-3-8-17(10-14)28(26,27)21-2/h3-8,10-11,13,18,21H,9,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYXMGOSGHEFGXTR-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.12
Rot. Bonds7

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide

3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 55656434) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
PubChem CID55656434
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)c1
InChIInChI=1S/C20H23N3O4S/c1-13-9-18(13)20(25)23-16-7-4-6-15(11-16)19(24)22-12-14-5-3-8-17(10-14)28(26,27)21-2/h3-8,10-11,13,18,21H,9,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYXMGOSGHEFGXTR-UHFFFAOYSA-N
XLogP2.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 17491912
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55650589
N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46465654
5-[[[3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466587
5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466586
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide (CID 55656434) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide is CNS(=O)(=O)c1cccc(CNC(=O)c2cccc(NC(=O)C3CC3C)c2)c1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is YXMGOSGHEFGXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-13-9-18(13)20(25)23-16-7-4-6-15(11-16)19(24)22-12-14-5-3-8-17(10-14)28(26,27)21-2/h3-8,10-11,13,18,21H,9,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55656434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).