(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide

C18H19FN2O3S — CID 24685920

IUPAC(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13(15-6-8-16(19)9-7-15)20-18(22)12-5-14-3-10-17(11-4-14)21-25(2,23)24/h3-13,21H,1-2H3,(H,20,22)/b12-5+
InChIKeyNCULQKOEQWGWAE-LFYBBSHMSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds6

About (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide

(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (PubChem CID 24685920) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
PubChem CID24685920
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13(15-6-8-16(19)9-7-15)20-18(22)12-5-14-3-10-17(11-4-14)21-25(2,23)24/h3-13,21H,1-2H3,(H,20,22)/b12-5+
InChIKeyNCULQKOEQWGWAE-LFYBBSHMSA-N
XLogP3.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
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-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 134030570
(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 51333617
N-[4-[(E)-3-oxo-3-[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]prop-1-enyl]phenyl]methanesulfonamide
CID 35619967
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 76870485
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 133217649
(E)-3-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368224
(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 47034219

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (CID 24685920) is (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is CC(NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The InChIKey is NCULQKOEQWGWAE-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-13(15-6-8-16(19)9-7-15)20-18(22)12-5-14-3-10-17(11-4-14)21-25(2,23)24/h3-13,21H,1-2H3,(H,20,22)/b12-5+.
What are the key properties of (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is sourced from PubChem (CID 24685920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).