1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C19H22N4O4S2 — CID 55813122

IUPAC1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c1
InChIInChI=1S/C19H22N4O4S2/c1-2-8-21-29(26,27)16-7-3-5-14(12-16)18(25)23-10-4-6-15(13-23)17(24)22-19-20-9-11-28-19/h2-3,5,7,9,11-12,15,21H,1,4,6,8,10,13H2,(H,20,22,24)
InChIKeyWYNSKKJSBSVEGJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.10
Rot. Bonds7

About 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55813122) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID55813122
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC Name1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c1
InChIInChI=1S/C19H22N4O4S2/c1-2-8-21-29(26,27)16-7-3-5-14(12-16)18(25)23-10-4-6-15(13-23)17(24)22-19-20-9-11-28-19/h2-3,5,7,9,11-12,15,21H,1,4,6,8,10,13H2,(H,20,22,24)
InChIKeyWYNSKKJSBSVEGJ-UHFFFAOYSA-N
XLogP2.10
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
(3S)-1-(2-prop-2-enylsulfanylacetyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94800017
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
5-methyl-1-[3-(prop-2-enylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 122119219
N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43004682
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55376240
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652
3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987

Frequently Asked Questions

What is the IUPAC name of 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55813122) is 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C(=O)Nc3nccs3)C2)c1.
What is the InChIKey of 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is WYNSKKJSBSVEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-2-8-21-29(26,27)16-7-3-5-14(12-16)18(25)23-10-4-6-15(13-23)17(24)22-19-20-9-11-28-19/h2-3,5,7,9,11-12,15,21H,1,4,6,8,10,13H2,(H,20,22,24).
What are the key properties of 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(prop-2-enylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55813122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).