5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

C21H35N3O3S — CID 9473171

IUPAC5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCCC[C@@H]2C)c1
InChIInChI=1S/C21H35N3O3S/c1-5-24(6-2)28(26,27)19-12-11-17(3)20(16-19)21(25)22-13-9-15-23-14-8-7-10-18(23)4/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,22,25)/t18-/m0/s1
InChIKeyOZQLICCMAQVUBX-SFHVURJKSA-N
MW409.60 g/mol
LogP3.02
Rot. Bonds9

About 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 9473171) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID9473171
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Name5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCCC[C@@H]2C)c1
InChIInChI=1S/C21H35N3O3S/c1-5-24(6-2)28(26,27)19-12-11-17(3)20(16-19)21(25)22-13-9-15-23-14-8-7-10-18(23)4/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,22,25)/t18-/m0/s1
InChIKeyOZQLICCMAQVUBX-SFHVURJKSA-N
XLogP3.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473795
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 47035882
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 55723665

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (CID 9473171) is 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCCC[C@@H]2C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is OZQLICCMAQVUBX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-5-24(6-2)28(26,27)19-12-11-17(3)20(16-19)21(25)22-13-9-15-23-14-8-7-10-18(23)4/h11-12,16,18H,5-10,13-15H2,1-4H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 409.60 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 9473171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).