3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

C18H26N2O6S — CID 110633484

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCC(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C18H26N2O6S/c1-25-15-7-6-14(12-16(15)26-2)27(23,24)11-8-17(21)19-13-18(22)20-9-4-3-5-10-20/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,19,21)
InChIKeyBNLDKLGQMVZYFE-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.00
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (PubChem CID 110633484) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
PubChem CID110633484
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCC(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C18H26N2O6S/c1-25-15-7-6-14(12-16(15)26-2)27(23,24)11-8-17(21)19-13-18(22)20-9-4-3-5-10-20/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,19,21)
InChIKeyBNLDKLGQMVZYFE-UHFFFAOYSA-N
XLogP1.00
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633485
3-(3,4-dimethoxyphenyl)sulfonyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 110408454
1-[3-(3,4-dimethoxyphenyl)sulfonylpropanoyl]pyrrolidine-3-carboxylic acid
CID 119355283
3-(3,4-dimethoxyphenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490636
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
3-(3,4-dimethoxyphenyl)sulfonyl-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 110416123
1-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropan-1-one
CID 125120163
3-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110424143
3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462202
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide
CID 112991752
(2R)-2-[3-(3,4-dimethoxyphenyl)sulfonylpropanoylamino]-4-methylpentanoic acid
CID 119364738

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (CID 110633484) is 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The InChIKey is BNLDKLGQMVZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-25-15-7-6-14(12-16(15)26-2)27(23,24)11-8-17(21)19-13-18(22)20-9-4-3-5-10-20/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide has a molecular weight of 398.48 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 110633484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).