3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

C17H26N2O4S — CID 2976005

IUPAC3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCCOCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-23-13-10-17(20)18-15-4-6-16(7-5-15)24(21,22)19-11-8-14(2)9-12-19/h4-7,14H,3,8-13H2,1-2H3,(H,18,20)
InChIKeyORTBRKCVCDIOFW-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.47
Rot. Bonds7

About 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 2976005) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID2976005
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCCOCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-23-13-10-17(20)18-15-4-6-16(7-5-15)24(21,22)19-11-8-14(2)9-12-19/h4-7,14H,3,8-13H2,1-2H3,(H,18,20)
InChIKeyORTBRKCVCDIOFW-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
3-ethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]propanamide
CID 17321608
3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 9428151
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55688252
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4510832
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 6971312
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 2976005) is 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is CCOCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is ORTBRKCVCDIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-23-13-10-17(20)18-15-4-6-16(7-5-15)24(21,22)19-11-8-14(2)9-12-19/h4-7,14H,3,8-13H2,1-2H3,(H,18,20).
What are the key properties of 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 354.47 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 2976005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).