2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide

C15H21N3O4S — CID 126831789

IUPAC2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
SMILESC=CCOc1ccccc1C(=O)NC1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C15H21N3O4S/c1-2-11-22-14-6-4-3-5-13(14)15(19)17-12-7-9-18(10-8-12)23(16,20)21/h2-6,12H,1,7-11H2,(H,17,19)(H2,16,20,21)
InChIKeyJVOSSGRBTZGYOR-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.65
Rot. Bonds6

About 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide

2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide (PubChem CID 126831789) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
PubChem CID126831789
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
SMILESC=CCOc1ccccc1C(=O)NC1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C15H21N3O4S/c1-2-11-22-14-6-4-3-5-13(14)15(19)17-12-7-9-18(10-8-12)23(16,20)21/h2-6,12H,1,7-11H2,(H,17,19)(H2,16,20,21)
InChIKeyJVOSSGRBTZGYOR-UHFFFAOYSA-N
XLogP0.65
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminocyclohexyl)-2-prop-2-enoxybenzamide;hydrochloride
CID 119478882
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
3-[(2-prop-2-enoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032902
N-[(1S,2S)-2-hydroxycyclohexyl]-2-prop-2-enoxybenzamide
CID 104957272
N'-(cyclopropanecarbonyl)-2-prop-2-enoxybenzohydrazide
CID 4929134
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
CID 120599440
N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
CID 106364464
N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
CID 175019852
N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-2-prop-2-enoxybenzamide
CID 126838841
prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 89275045
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424
(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide?
The IUPAC name of 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide (CID 126831789) is 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide is C=CCOc1ccccc1C(=O)NC1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide?
The InChIKey is JVOSSGRBTZGYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-2-11-22-14-6-4-3-5-13(14)15(19)17-12-7-9-18(10-8-12)23(16,20)21/h2-6,12H,1,7-11H2,(H,17,19)(H2,16,20,21).
What are the key properties of 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide?
2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide is sourced from PubChem (CID 126831789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).