N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C21H24F2N2O3S — CID 30707060

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H24F2N2O3S/c1-15-3-7-19(8-4-15)29(27,28)25-11-9-16(10-12-25)21(26)24(2)14-17-5-6-18(22)13-20(17)23/h3-8,13,16H,9-12,14H2,1-2H3
InChIKeyPTQMYWXQJMRDKW-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.33
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 30707060) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID30707060
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H24F2N2O3S/c1-15-3-7-19(8-4-15)29(27,28)25-11-9-16(10-12-25)21(26)24(2)14-17-5-6-18(22)13-20(17)23/h3-8,13,16H,9-12,14H2,1-2H3
InChIKeyPTQMYWXQJMRDKW-UHFFFAOYSA-N
XLogP3.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-difluorophenyl)methyl]-N-methyl-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

Related Compounds

CID 135393501
CID 135393501
CID 36275608
CID 36275608
CID 155569076
CID 155569076
CID 717239
CID 717239
CID 4782446
CID 4782446
CID 764400
CID 764400
CID 3237315
CID 3237315
CID 2444257
CID 2444257
CID 21372902
CID 21372902
CID 51031036
CID 51031036
CID 2634530
CID 2634530
CID 648766
CID 648766

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 30707060) is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PTQMYWXQJMRDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-15-3-7-19(8-4-15)29(27,28)25-11-9-16(10-12-25)21(26)24(2)14-17-5-6-18(22)13-20(17)23/h3-8,13,16H,9-12,14H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30707060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).