N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide

C23H29N3O4S — CID 20974051

IUPACN-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)CC1
InChIInChI=1S/C23H29N3O4S/c1-15-12-16(2)21(17(3)13-15)31(29,30)25-20-7-5-6-19(14-20)23(28)26-10-8-18(9-11-26)22(27)24-4/h5-7,12-14,18,25H,8-11H2,1-4H3,(H,24,27)
InChIKeyWIVPMXVVUZLQBS-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.01
Rot. Bonds5

About N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide

N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 20974051) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
PubChem CID20974051
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)CC1
InChIInChI=1S/C23H29N3O4S/c1-15-12-16(2)21(17(3)13-15)31(29,30)25-20-7-5-6-19(14-20)23(28)26-10-8-18(9-11-26)22(27)24-4/h5-7,12-14,18,25H,8-11H2,1-4H3,(H,24,27)
InChIKeyWIVPMXVVUZLQBS-UHFFFAOYSA-N
XLogP3.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974015
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
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-(ethylsulfamoyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064085
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 20974013
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20973960
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20974027
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (CID 20974051) is N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3c(C)cc(C)cc3C)c2)CC1.
What is the InChIKey of N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is WIVPMXVVUZLQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-15-12-16(2)21(17(3)13-15)31(29,30)25-20-7-5-6-19(14-20)23(28)26-10-8-18(9-11-26)22(27)24-4/h5-7,12-14,18,25H,8-11H2,1-4H3,(H,24,27).
What are the key properties of N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).