(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide

C18H19FN2O4S — CID 9106601

IUPAC(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19FN2O4S/c1-21(2)26(23,24)17-12-15(8-9-16(17)25-3)20-18(22)10-7-13-5-4-6-14(19)11-13/h4-12H,1-3H3,(H,20,22)/b10-7+
InChIKeyRBVMOHCFMUVHRY-JXMROGBWSA-N
MW378.43 g/mol
LogP2.74
Rot. Bonds6

About (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide

(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 9106601) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID9106601
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19FN2O4S/c1-21(2)26(23,24)17-12-15(8-9-16(17)25-3)20-18(22)10-7-13-5-4-6-14(19)11-13/h4-12H,1-3H3,(H,20,22)/b10-7+
InChIKeyRBVMOHCFMUVHRY-JXMROGBWSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide
CID 26889820
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide
CID 26881910
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
CID 18152924
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
3-(3,4-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 1179409
methyl N-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]-N-methylcarbamate
CID 60578498
(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 42965044
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4666704
[5-[3-(3-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 67337899
(E)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6180383
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide (CID 9106601) is (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is RBVMOHCFMUVHRY-JXMROGBWSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-21(2)26(23,24)17-12-15(8-9-16(17)25-3)20-18(22)10-7-13-5-4-6-14(19)11-13/h4-12H,1-3H3,(H,20,22)/b10-7+.
What are the key properties of (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 378.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 9106601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).