4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide

C17H18N2O4S — CID 6459135

IUPAC4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H18N2O4S/c1-3-11-23-16-6-4-5-15(12-16)18-17(20)13-7-9-14(10-8-13)19-24(2,21)22/h3-10,12,19H,1,11H2,2H3,(H,18,20)
InChIKeyVCTRFIKANPDISU-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.88
Rot. Bonds7

About 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide

4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide (PubChem CID 6459135) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
PubChem CID6459135
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H18N2O4S/c1-3-11-23-16-6-4-5-15(12-16)18-17(20)13-7-9-14(10-8-13)19-24(2,21)22/h3-10,12,19H,1,11H2,2H3,(H,18,20)
InChIKeyVCTRFIKANPDISU-UHFFFAOYSA-N
XLogP2.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.88
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

4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 49027316
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
4-methylsulfinyl-N-(3-prop-2-enoxyphenyl)benzamide
CID 86835440
4-[methoxy(methyl)sulfamoyl]-N-(3-prop-2-enoxyphenyl)benzamide
CID 47071098
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
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
[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927824
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide (CID 6459135) is 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide is C=CCOc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1.
What is the InChIKey of 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide?
The InChIKey is VCTRFIKANPDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-11-23-16-6-4-5-15(12-16)18-17(20)13-7-9-14(10-8-13)19-24(2,21)22/h3-10,12,19H,1,11H2,2H3,(H,18,20).
What are the key properties of 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide?
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide has a molecular weight of 346.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 6459135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).