N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C19H28N2O4S — CID 3192926

IUPACN-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14-5-7-16(8-6-14)26(24,25)21-11-9-15(10-12-21)18(23)20-13-17(22)19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,20,23)
InChIKeyKRNAPTABTDLQBD-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.13
Rot. Bonds5

About N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3192926) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3192926
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14-5-7-16(8-6-14)26(24,25)21-11-9-15(10-12-21)18(23)20-13-17(22)19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,20,23)
InChIKeyKRNAPTABTDLQBD-UHFFFAOYSA-N
XLogP2.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 3192926) is N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KRNAPTABTDLQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-5-7-16(8-6-14)26(24,25)21-11-9-15(10-12-21)18(23)20-13-17(22)19(2,3)4/h5-8,15H,9-13H2,1-4H3,(H,20,23).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3192926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).