N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide

C17H26N2O6S — CID 110335934

IUPACN-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC)cc2OC)C1
InChIInChI=1S/C17H26N2O6S/c1-23-9-10-26(21,22)19-8-4-5-13(12-19)17(20)18-15-7-6-14(24-2)11-16(15)25-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyVUXHUAFSLJRWSB-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.33
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide (PubChem CID 110335934) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
PubChem CID110335934
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC)cc2OC)C1
InChIInChI=1S/C17H26N2O6S/c1-23-9-10-26(21,22)19-8-4-5-13(12-19)17(20)18-15-7-6-14(24-2)11-16(15)25-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20)
InChIKeyVUXHUAFSLJRWSB-UHFFFAOYSA-N
XLogP1.33
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 92641921
(3S)-N-(2,4-dimethoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641443
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
1-(2-methoxyethylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 110335852
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3746097
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 110335932
(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710882
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 92641571
ethyl 4-[(3S)-3-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 92502015
ethyl 4-[3-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938297
N-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47987007

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide (CID 110335934) is N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide is COCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(OC)cc2OC)C1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The InChIKey is VUXHUAFSLJRWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-23-9-10-26(21,22)19-8-4-5-13(12-19)17(20)18-15-7-6-14(24-2)11-16(15)25-3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110335934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).