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

C22H28N2O4S — CID 100780406

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C22H28N2O4S/c1-16-8-9-17(2)21(14-16)29(26,27)24-12-10-18(11-13-24)22(25)23(3)19-6-5-7-20(15-19)28-4/h5-9,14-15,18H,10-13H2,1-4H3
InChIKeyORKIPASHTAQVBS-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.38
Rot. Bonds5

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

1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 100780406) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide
PubChem CID100780406
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide
SMILESCOc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C22H28N2O4S/c1-16-8-9-17(2)21(14-16)29(26,27)24-12-10-18(11-13-24)22(25)23(3)19-6-5-7-20(15-19)28-4/h5-9,14-15,18H,10-13H2,1-4H3
InChIKeyORKIPASHTAQVBS-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-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 113006264
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55353772
4-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 42946507
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 48737522
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133163634
N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 52851039
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-phenylpiperidine-3-carboxamide
CID 133159763
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 100800008
(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100800356
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27240838

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide (CID 100780406) is 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide is COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is ORKIPASHTAQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-8-9-17(2)21(14-16)29(26,27)24-12-10-18(11-13-24)22(25)23(3)19-6-5-7-20(15-19)28-4/h5-9,14-15,18H,10-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-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 1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 100780406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).