4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide

C22H29N3O3S — CID 33314849

IUPAC4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17(2)24(3)29(27,28)19-13-11-18(12-14-19)22(26)23-20-9-5-6-10-21(20)25-15-7-4-8-16-25/h5-6,9-14,17H,4,7-8,15-16H2,1-3H3,(H,23,26)
InChIKeyDXXNEUNORAHYPW-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.96
Rot. Bonds6

About 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide

4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 33314849) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID33314849
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17(2)24(3)29(27,28)19-13-11-18(12-14-19)22(26)23-20-9-5-6-10-21(20)25-15-7-4-8-16-25/h5-6,9-14,17H,4,7-8,15-16H2,1-3H3,(H,23,26)
InChIKeyDXXNEUNORAHYPW-UHFFFAOYSA-N
XLogP3.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-(2-chlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363696
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520201
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide
CID 2441869
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide (CID 33314849) is 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is DXXNEUNORAHYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17(2)24(3)29(27,28)19-13-11-18(12-14-19)22(26)23-20-9-5-6-10-21(20)25-15-7-4-8-16-25/h5-6,9-14,17H,4,7-8,15-16H2,1-3H3,(H,23,26).
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide?
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 415.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 33314849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).