4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide

C18H20N2O5S — CID 47071098

IUPAC4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-4-12-25-16-7-5-6-15(13-16)19-18(21)14-8-10-17(11-9-14)26(22,23)20(2)24-3/h4-11,13H,1,12H2,2-3H3,(H,19,21)
InChIKeyNEVXTZIXBPZJCZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.69
Rot. Bonds8

About 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide

4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 47071098) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID47071098
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-4-12-25-16-7-5-6-15(13-16)19-18(21)14-8-10-17(11-9-14)26(22,23)20(2)24-3/h4-11,13H,1,12H2,2-3H3,(H,19,21)
InChIKeyNEVXTZIXBPZJCZ-UHFFFAOYSA-N
XLogP2.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
CID 53285181
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 49027316
2-[methyl(methylsulfonyl)amino]-N-(3-prop-2-enoxyphenyl)benzamide
CID 6457389
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
6-chloro-N-(3-prop-2-enoxyphenyl)pyridine-3-carboxamide
CID 47380551

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide (CID 47071098) is 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is NEVXTZIXBPZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-4-12-25-16-7-5-6-15(13-16)19-18(21)14-8-10-17(11-9-14)26(22,23)20(2)24-3/h4-11,13H,1,12H2,2-3H3,(H,19,21).
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide?
4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 376.43 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 47071098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).