3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide

C19H22N2O4S — CID 35154636

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-4-12-20-19(22)15-7-6-14(3)18(13-15)26(23,24)21-16-8-10-17(11-9-16)25-5-2/h4,6-11,13,21H,1,5,12H2,2-3H3,(H,20,22)
InChIKeyFFFJIWPNUZNMLZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.11
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide

3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide (PubChem CID 35154636) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
PubChem CID35154636
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-4-12-20-19(22)15-7-6-14(3)18(13-15)26(23,24)21-16-8-10-17(11-9-16)25-5-2/h4,6-11,13,21H,1,5,12H2,2-3H3,(H,20,22)
InChIKeyFFFJIWPNUZNMLZ-UHFFFAOYSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.11
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-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 43021239
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2608068
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide
CID 26852039
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide (CID 35154636) is 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide?
The InChIKey is FFFJIWPNUZNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-12-20-19(22)15-7-6-14(3)18(13-15)26(23,24)21-16-8-10-17(11-9-16)25-5-2/h4,6-11,13,21H,1,5,12H2,2-3H3,(H,20,22).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide has a molecular weight of 374.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 35154636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).