1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide

C23H29ClN2O6S — CID 133163500

IUPAC1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3c(OC)cccc3OC)C2)cc1Cl
InChIInChI=1S/C23H29ClN2O6S/c1-4-32-22-11-10-17(13-19(22)24)33(28,29)26-12-6-7-16(15-26)23(27)25-14-18-20(30-2)8-5-9-21(18)31-3/h5,8-11,13,16H,4,6-7,12,14-15H2,1-3H3,(H,25,27)
InChIKeyOZIIXVOTQLSXSP-UHFFFAOYSA-N
MW497.01 g/mol
LogP3.47
Rot. Bonds9

About 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide

1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 133163500) has the molecular formula C23H29ClN2O6S and a molecular weight of 497.01 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID133163500
Molecular FormulaC23H29ClN2O6S
Molecular Weight497.01 g/mol
Exact Mass496.14
IUPAC Name1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3c(OC)cccc3OC)C2)cc1Cl
InChIInChI=1S/C23H29ClN2O6S/c1-4-32-22-11-10-17(13-19(22)24)33(28,29)26-12-6-7-16(15-26)23(27)25-14-18-20(30-2)8-5-9-21(18)31-3/h5,8-11,13,16H,4,6-7,12,14-15H2,1-3H3,(H,25,27)
InChIKeyOZIIXVOTQLSXSP-UHFFFAOYSA-N
XLogP3.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.01
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 6495109
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 126397672
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 3969532
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 41302656
N-[(2,6-dimethoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 133159777
(3R)-N-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302674
(3S)-N-[(2,6-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100800260
(3R)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 93480682
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 28549955
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 6495112
N-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214843
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 41302670

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 133163500) is 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3c(OC)cccc3OC)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is OZIIXVOTQLSXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O6S/c1-4-32-22-11-10-17(13-19(22)24)33(28,29)26-12-6-7-16(15-26)23(27)25-14-18-20(30-2)8-5-9-21(18)31-3/h5,8-11,13,16H,4,6-7,12,14-15H2,1-3H3,(H,25,27).
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide?
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 497.01 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 133163500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).