3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide

C18H20N2O4S — CID 94633826

IUPAC3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O4S/c1-3-11-19-18(21)14-8-6-9-16(12-14)25(22,23)20-13-15-7-4-5-10-17(15)24-2/h3-10,12,20H,1,11,13H2,2H3,(H,19,21)
InChIKeyYEFHTZXGQZDJQQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.09
Rot. Bonds8

About 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide

3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 94633826) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
PubChem CID94633826
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C18H20N2O4S/c1-3-11-19-18(21)14-8-6-9-16(12-14)25(22,23)20-13-15-7-4-5-10-17(15)24-2/h3-10,12,20H,1,11,13H2,2H3,(H,19,21)
InChIKeyYEFHTZXGQZDJQQ-UHFFFAOYSA-N
XLogP2.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.09
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-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55951606
2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34743144
3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86879597
3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062466
3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylsulfamoyl]-N-prop-2-enylbenzamide
CID 86880808
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-prop-2-enylbenzamide
CID 31529071
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide (CID 94633826) is 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is YEFHTZXGQZDJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-11-19-18(21)14-8-6-9-16(12-14)25(22,23)20-13-15-7-4-5-10-17(15)24-2/h3-10,12,20H,1,11,13H2,2H3,(H,19,21).
What are the key properties of 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide?
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 94633826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).