(E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide

C17H18N2O3S — CID 20780494

IUPAC(E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCNC(=O)/C=C/c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-18-17(20)12-11-14-7-6-10-16(13-14)23(21,22)19(2)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,18,20)/b12-11+
InChIKeyVKAFAXPPVJNXRW-VAWYXSNFSA-N
MW330.41 g/mol
LogP2.27
Rot. Bonds5

About (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide

(E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 20780494) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID20780494
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCNC(=O)/C=C/c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H18N2O3S/c1-18-17(20)12-11-14-7-6-10-16(13-14)23(21,22)19(2)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,18,20)/b12-11+
InChIKeyVKAFAXPPVJNXRW-VAWYXSNFSA-N
XLogP2.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(E)-3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxoprop-1-enyl]benzamide
CID 55560103
3-[3-[bromo(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 91552459
(2E,4E)-5-[3-[benzenesulfonyl(methyl)amino]phenyl]penta-2,4-dienoic acid
CID 10783585
N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 4778490
[4-[benzenesulfonyl(methyl)amino]phenyl] (E)-3-phenylprop-2-enoate
CID 7921384
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
(E)-3-[3-(diethylsulfamoyl)phenyl]prop-2-enoic acid
CID 109375261
3-[3-[methyl(2-methylbutan-2-yl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76996682
(E)-3-[3-[cyclohexa-1,5-dien-1-yl(phenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 88950309
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
3-[3-[fluoro-(4-fluorophenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 173039541
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide (CID 20780494) is (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide is CNC(=O)/C=C/c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is VKAFAXPPVJNXRW-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-18-17(20)12-11-14-7-6-10-16(13-14)23(21,22)19(2)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,18,20)/b12-11+.
What are the key properties of (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide?
(E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-[3-[methyl(phenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 20780494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).