1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide

C23H27N3O3S — CID 55593378

IUPAC1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cc(C)cc(C)c1
InChIInChI=1S/C23H27N3O3S/c1-4-26(21-14-17(2)13-18(3)15-21)23(27)20-9-11-25(12-10-20)30(28,29)22-7-5-19(16-24)6-8-22/h5-8,13-15,20H,4,9-12H2,1-3H3
InChIKeyLZIHLMKZUYLPRG-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide

1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 55593378) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
PubChem CID55593378
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cc(C)cc(C)c1
InChIInChI=1S/C23H27N3O3S/c1-4-26(21-14-17(2)13-18(3)15-21)23(27)20-9-11-25(12-10-20)30(28,29)22-7-5-19(16-24)6-8-22/h5-8,13-15,20H,4,9-12H2,1-3H3
InChIKeyLZIHLMKZUYLPRG-UHFFFAOYSA-N
XLogP3.63
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 134006146
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86892187
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 8865714
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
(2-chloro-5-methylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
CID 26705478
(4-propoxyphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate
CID 26704386
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 63513521
2-(4-cyanophenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41151127
N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 55594102
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide (CID 55593378) is 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is LZIHLMKZUYLPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-4-26(21-14-17(2)13-18(3)15-21)23(27)20-9-11-25(12-10-20)30(28,29)22-7-5-19(16-24)6-8-22/h5-8,13-15,20H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide?
1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 55593378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).