N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide

C18H20N2O5S — CID 26695042

IUPACN-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-4-10-19-26(22,23)15-7-5-6-13(11-15)18(21)20-14-8-9-16(24-2)17(12-14)25-3/h4-9,11-12,19H,1,10H2,2-3H3,(H,20,21)
InChIKeyRRLNKNKNSHHDGX-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.42
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide

N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 26695042) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID26695042
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-4-10-19-26(22,23)15-7-5-6-13(11-15)18(21)20-14-8-9-16(24-2)17(12-14)25-3/h4-9,11-12,19H,1,10H2,2-3H3,(H,20,21)
InChIKeyRRLNKNKNSHHDGX-UHFFFAOYSA-N
XLogP2.42
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 4929820
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278
N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 134037441
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide (CID 26695042) is N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is RRLNKNKNSHHDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-4-10-19-26(22,23)15-7-5-6-13(11-15)18(21)20-14-8-9-16(24-2)17(12-14)25-3/h4-9,11-12,19H,1,10H2,2-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 376.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 26695042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).