3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide

C20H25N3O3S — CID 119424382

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15-8-10-18(11-9-15)23(2)27(25,26)19-7-3-5-16(13-19)20(24)22-17-6-4-12-21-14-17/h3,5,7-11,13,17,21H,4,6,12,14H2,1-2H3,(H,22,24)
InChIKeyCLPWRCMZIPGYNP-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.30
Rot. Bonds5

About 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide

3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide (PubChem CID 119424382) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
PubChem CID119424382
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15-8-10-18(11-9-15)23(2)27(25,26)19-7-3-5-16(13-19)20(24)22-17-6-4-12-21-14-17/h3,5,7-11,13,17,21H,4,6,12,14H2,1-2H3,(H,22,24)
InChIKeyCLPWRCMZIPGYNP-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119425491
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
3-[(3-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424807
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77096218
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531259
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-methylpiperazin-1-yl)benzamide
CID 9204956

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide (CID 119424382) is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCNC3)c2)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The InChIKey is CLPWRCMZIPGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-8-10-18(11-9-15)23(2)27(25,26)19-7-3-5-16(13-19)20(24)22-17-6-4-12-21-14-17/h3,5,7-11,13,17,21H,4,6,12,14H2,1-2H3,(H,22,24).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119424382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).