4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C17H19N3O4S — CID 3545513

IUPAC4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H19N3O4S/c1-4-10-20(11-5-2)25(22,23)15-8-6-14(7-9-15)17(21)18-16-12-13(3)24-19-16/h4-9,12H,1-2,10-11H2,3H3,(H,18,19,21)
InChIKeyWPJLTXTZRZCIKT-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.60
Rot. Bonds8

About 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 3545513) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID3545513
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C17H19N3O4S/c1-4-10-20(11-5-2)25(22,23)15-8-6-14(7-9-15)17(21)18-16-12-13(3)24-19-16/h4-9,12H,1-2,10-11H2,3H3,(H,18,19,21)
InChIKeyWPJLTXTZRZCIKT-UHFFFAOYSA-N
XLogP2.60
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854547
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155620
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973211
4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4215772
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458
4-(cyclopentylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 44754126
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147353
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
CID 4933660

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 3545513) is 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is WPJLTXTZRZCIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-4-10-20(11-5-2)25(22,23)15-8-6-14(7-9-15)17(21)18-16-12-13(3)24-19-16/h4-9,12H,1-2,10-11H2,3H3,(H,18,19,21).
What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 361.42 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 3545513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).