3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide

C17H26N2O5S — CID 51279171

IUPAC3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
SMILESCCONC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H26N2O5S/c1-5-24-18-17(20)14-6-7-15(23-4)16(9-14)25(21,22)19-10-12(2)8-13(3)11-19/h6-7,9,12-13H,5,8,10-11H2,1-4H3,(H,18,20)
InChIKeyHXKUNBIREPRKCA-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.04
Rot. Bonds6

About 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide (PubChem CID 51279171) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
PubChem CID51279171
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
SMILESCCONC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H26N2O5S/c1-5-24-18-17(20)14-6-7-15(23-4)16(9-14)25(21,22)19-10-12(2)8-13(3)11-19/h6-7,9,12-13H,5,8,10-11H2,1-4H3,(H,18,20)
InChIKeyHXKUNBIREPRKCA-UHFFFAOYSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55408650
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N'-(3-methylbutanoyl)benzohydrazide
CID 46423752
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
ethyl 5-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoyl]amino]thiadiazole-4-carboxylate
CID 55671078
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 55908130
N-(4-amino-3,5-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55450949
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 26086684
N-[(2,4-dimethoxyphenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 46590391
N-(2,5-dichlorophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide
CID 26086200
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-4-methoxybenzamide
CID 100853032
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 26905197
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate
CID 43028400

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide (CID 51279171) is 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide is CCONC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide?
The InChIKey is HXKUNBIREPRKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-5-24-18-17(20)14-6-7-15(23-4)16(9-14)25(21,22)19-10-12(2)8-13(3)11-19/h6-7,9,12-13H,5,8,10-11H2,1-4H3,(H,18,20).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide?
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide has a molecular weight of 370.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 51279171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).