1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide

C21H33N3O6S — CID 55359976

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C21H33N3O6S/c1-6-23(14-20(25)22-15(2)3)21(26)16-9-11-24(12-10-16)31(27,28)17-7-8-18(29-4)19(13-17)30-5/h7-8,13,15-16H,6,9-12,14H2,1-5H3,(H,22,25)
InChIKeyCFAOQNJETBQTOE-UHFFFAOYSA-N
MW455.58 g/mol
LogP1.48
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide (PubChem CID 55359976) has the molecular formula C21H33N3O6S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
PubChem CID55359976
Molecular FormulaC21H33N3O6S
Molecular Weight455.58 g/mol
Exact Mass455.21
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C21H33N3O6S/c1-6-23(14-20(25)22-15(2)3)21(26)16-9-11-24(12-10-16)31(27,28)17-7-8-18(29-4)19(13-17)30-5/h7-8,13,15-16H,6,9-12,14H2,1-5H3,(H,22,25)
InChIKeyCFAOQNJETBQTOE-UHFFFAOYSA-N
XLogP1.48
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
CID 46554947
N-ethyl-1-(4-methylphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide
CID 46554998
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
1-(3,4-dimethylphenyl)sulfonyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 24548519
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 78803580
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
1-(3,4-dimethoxyphenyl)sulfonyl-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 30856966
N-[(2S)-butan-2-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092912
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550998
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031833
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide (CID 55359976) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide is CCN(CC(=O)NC(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is CFAOQNJETBQTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O6S/c1-6-23(14-20(25)22-15(2)3)21(26)16-9-11-24(12-10-16)31(27,28)17-7-8-18(29-4)19(13-17)30-5/h7-8,13,15-16H,6,9-12,14H2,1-5H3,(H,22,25).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55359976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).