3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide

C20H25N3O3S — CID 119425491

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C20H25N3O3S/c1-2-23(18-10-4-3-5-11-18)27(25,26)19-12-6-8-16(14-19)20(24)22-17-9-7-13-21-15-17/h3-6,8,10-12,14,17,21H,2,7,9,13,15H2,1H3,(H,22,24)
InChIKeyMMBRIWBMJIWFPW-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.38
Rot. Bonds6

About 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide

3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide (PubChem CID 119425491) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
PubChem CID119425491
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C20H25N3O3S/c1-2-23(18-10-4-3-5-11-18)27(25,26)19-12-6-8-16(14-19)20(24)22-17-9-7-13-21-15-17/h3-6,8,10-12,14,17,21H,2,7,9,13,15H2,1H3,(H,22,24)
InChIKeyMMBRIWBMJIWFPW-UHFFFAOYSA-N
XLogP2.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77096218
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55532858
N-piperidin-3-ylbenzamide
CID 22017045
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
3-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 32933570
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide (CID 119425491) is 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCNC2)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
The InChIKey is MMBRIWBMJIWFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-23(18-10-4-3-5-11-18)27(25,26)19-12-6-8-16(14-19)20(24)22-17-9-7-13-21-15-17/h3-6,8,10-12,14,17,21H,2,7,9,13,15H2,1H3,(H,22,24).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide?
3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119425491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).