(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide

C18H20N2O3S — CID 9141564

IUPAC(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1
InChIInChI=1S/C18H20N2O3S/c1-12-4-6-15(7-5-12)8-9-18(21)20-17-11-16(24(19,22)23)10-13(2)14(17)3/h4-11H,1-3H3,(H,20,21)(H2,19,22,23)/b9-8+
InChIKeyHSPRROQZVGLNMD-CMDGGOBGSA-N
MW344.44 g/mol
LogP2.91
Rot. Bonds4

About (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 9141564) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID9141564
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1
InChIInChI=1S/C18H20N2O3S/c1-12-4-6-15(7-5-12)8-9-18(21)20-17-11-16(24(19,22)23)10-13(2)14(17)3/h4-11H,1-3H3,(H,20,21)(H2,19,22,23)/b9-8+
InChIKeyHSPRROQZVGLNMD-CMDGGOBGSA-N
XLogP2.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 9141685
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141558
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(3-fluorophenyl)prop-2-enamide
CID 9141393
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 16606372
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55506917
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-3-(2,4-dimethoxyphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141397
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9141642
(E)-3-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)prop-2-enamide
CID 82757480
(E)-N-(2,4-dimethylphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244061
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide (CID 9141564) is (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1.
What is the InChIKey of (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is HSPRROQZVGLNMD-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-4-6-15(7-5-12)8-9-18(21)20-17-11-16(24(19,22)23)10-13(2)14(17)3/h4-11H,1-3H3,(H,20,21)(H2,19,22,23)/b9-8+.
What are the key properties of (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9141564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).