N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

C22H28N2O4S — CID 55917708

IUPACN-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)c3cc(C)ccc3C)C2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-7-8-17(2)21(14-16)23(3)22(25)18-6-5-13-24(15-18)29(26,27)20-11-9-19(28-4)10-12-20/h7-12,14,18H,5-6,13,15H2,1-4H3
InChIKeyQUZIMXWHJHBYQG-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.38
Rot. Bonds5

About N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (PubChem CID 55917708) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
PubChem CID55917708
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)c3cc(C)ccc3C)C2)cc1
InChIInChI=1S/C22H28N2O4S/c1-16-7-8-17(2)21(14-16)23(3)22(25)18-6-5-13-24(15-18)29(26,27)20-11-9-19(28-4)10-12-20/h7-12,14,18H,5-6,13,15H2,1-4H3
InChIKeyQUZIMXWHJHBYQG-UHFFFAOYSA-N
XLogP3.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414147
(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100800356
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800732
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 28954361
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24641369

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (CID 55917708) is N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)c3cc(C)ccc3C)C2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The InChIKey is QUZIMXWHJHBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-7-8-17(2)21(14-16)23(3)22(25)18-6-5-13-24(15-18)29(26,27)20-11-9-19(28-4)10-12-20/h7-12,14,18H,5-6,13,15H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55917708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).