(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide

C19H21FN2O3S — CID 47078775

IUPAC(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1C
InChIInChI=1S/C19H21FN2O3S/c1-3-13-26(24,25)22-18-6-4-5-17(14(18)2)21-19(23)12-9-15-7-10-16(20)11-8-15/h4-12,22H,3,13H2,1-2H3,(H,21,23)/b12-9+
InChIKeyQIORAZUUOCCWEX-FMIVXFBMSA-N
MW376.45 g/mol
LogP3.94
Rot. Bonds7

About (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide (PubChem CID 47078775) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
PubChem CID47078775
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1C
InChIInChI=1S/C19H21FN2O3S/c1-3-13-26(24,25)22-18-6-4-5-17(14(18)2)21-19(23)12-9-15-7-10-16(20)11-8-15/h4-12,22H,3,13H2,1-2H3,(H,21,23)/b12-9+
InChIKeyQIORAZUUOCCWEX-FMIVXFBMSA-N
XLogP3.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.94
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

N-[2-methyl-3-(propylsulfonylamino)phenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 76870802
N-[2-methyl-3-(propylsulfonylamino)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 78905754
2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 47078779
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368224
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide
CID 34170138
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
ethyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]benzoate
CID 724690
(E)-N-[(2,3-dimethylphenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6240063
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide (CID 47078775) is (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide is CCCS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1C.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide?
The InChIKey is QIORAZUUOCCWEX-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-3-13-26(24,25)22-18-6-4-5-17(14(18)2)21-19(23)12-9-15-7-10-16(20)11-8-15/h4-12,22H,3,13H2,1-2H3,(H,21,23)/b12-9+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide has a molecular weight of 376.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 47078775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).