1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide

C20H23N3O4S — CID 20974043

IUPAC1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C20H23N3O4S/c1-21-19(24)15-10-12-23(13-11-15)20(25)16-6-5-7-17(14-16)22-28(26,27)18-8-3-2-4-9-18/h2-9,14-15,22H,10-13H2,1H3,(H,21,24)
InChIKeyBEBDVLYZVUPGIC-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.09
Rot. Bonds5

About 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide

1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 20974043) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
PubChem CID20974043
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C20H23N3O4S/c1-21-19(24)15-10-12-23(13-11-15)20(25)16-6-5-7-17(14-16)22-28(26,27)18-8-3-2-4-9-18/h2-9,14-15,22H,10-13H2,1H3,(H,21,24)
InChIKeyBEBDVLYZVUPGIC-UHFFFAOYSA-N
XLogP2.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974051
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
N-cyclopropyl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974007
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 20974013
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
1-[3-(ethylsulfamoyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064085
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20974027
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide (CID 20974043) is 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.
What is the InChIKey of 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is BEBDVLYZVUPGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-21-19(24)15-10-12-23(13-11-15)20(25)16-6-5-7-17(14-16)22-28(26,27)18-8-3-2-4-9-18/h2-9,14-15,22H,10-13H2,1H3,(H,21,24).
What are the key properties of 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide?
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 20974043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).