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

C23H29ClN2O4S — CID 133163564

IUPAC1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)N(C)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C23H29ClN2O4S/c1-5-30-21-11-9-19(24)14-22(21)31(28,29)26-12-6-7-18(15-26)23(27)25(4)20-10-8-16(2)17(3)13-20/h8-11,13-14,18H,5-7,12,15H2,1-4H3
InChIKeyUIDDYHHRUWPZPE-UHFFFAOYSA-N
MW465.02 g/mol
LogP4.42
Rot. Bonds6

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

1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 133163564) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID133163564
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC Name1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)N(C)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C23H29ClN2O4S/c1-5-30-21-11-9-19(24)14-22(21)31(28,29)26-12-6-7-18(15-26)23(27)25(4)20-10-8-16(2)17(3)13-20/h8-11,13-14,18H,5-7,12,15H2,1-4H3
InChIKeyUIDDYHHRUWPZPE-UHFFFAOYSA-N
XLogP4.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 133163562
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 9003807
(3S)-N-[(2R)-butan-2-yl]-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9003818
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550676
N-(4-bromo-2-ethyl-6-methylphenyl)-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133155315
(3R)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100796094
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 9003840
ethyl (3R)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate
CID 1273285
(3S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125049667
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-phenylpiperidine-3-carboxamide
CID 133159763
[1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133163538
(3R)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 125049728

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide (CID 133163564) is 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide is CCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)N(C)c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is UIDDYHHRUWPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-5-30-21-11-9-19(24)14-22(21)31(28,29)26-12-6-7-18(15-26)23(27)25(4)20-10-8-16(2)17(3)13-20/h8-11,13-14,18H,5-7,12,15H2,1-4H3.
What are the key properties of 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide?
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 465.02 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 133163564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).