N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide

C21H25N3O4S — CID 3237637

IUPACN-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H25N3O4S/c1-15-10-12-24(13-11-15)29(27,28)17-7-5-6-16(14-17)20(25)23-19-9-4-3-8-18(19)21(26)22-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyJJWQBEYRYSLGAO-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.72
Rot. Bonds5

About N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide

N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide (PubChem CID 3237637) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
PubChem CID3237637
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H25N3O4S/c1-15-10-12-24(13-11-15)29(27,28)17-7-5-6-16(14-17)20(25)23-19-9-4-3-8-18(19)21(26)22-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyJJWQBEYRYSLGAO-UHFFFAOYSA-N
XLogP2.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 2440433
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 10391001
N,N-Bis[3-(dimethylamino)propyl]-1-[[4-[(2,2-diphenylethyl)amino]-3-(4-morpholinylcarbonyl)phenyl]sulfonyl]-4-piperidinecarboxamide
CID 11320189
N-(2-Benzoyl-phenyl)-4-[3-(3-piperidin-1-yl-propyl)-ureido]-benzenesulfonamide
CID 24895452
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide (CID 3237637) is N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide is CNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
The InChIKey is JJWQBEYRYSLGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-10-12-24(13-11-15)29(27,28)17-7-5-6-16(14-17)20(25)23-19-9-4-3-8-18(19)21(26)22-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide?
N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide has a molecular weight of 415.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide is sourced from PubChem (CID 3237637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).