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

C19H21FN2O3S — CID 24685299

IUPAC(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14(16-7-9-17(20)10-8-16)22(2)19(23)13-6-15-4-11-18(12-5-15)21-26(3,24)25/h4-14,21H,1-3H3/b13-6+
InChIKeyRTZGORFROIQCLS-AWNIVKPZSA-N
MW376.45 g/mol
LogP3.43
Rot. Bonds6

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

(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide (PubChem CID 24685299) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide
PubChem CID24685299
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H21FN2O3S/c1-14(16-7-9-17(20)10-8-16)22(2)19(23)13-6-15-4-11-18(12-5-15)21-26(3,24)25/h4-14,21H,1-3H3/b13-6+
InChIKeyRTZGORFROIQCLS-AWNIVKPZSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.43
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

2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
3-(4-tert-butylphenyl)-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]propanamide
CID 11166066
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 11452156
(E)-3-(4-tert-butylphenyl)-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]prop-2-enamide
CID 11452839
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide
CID 11462663
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
CID 11782125
(E)-3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsulfonamido)benzyl)acrylamide
CID 11851486
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]-2-methylprop-2-enamide
CID 11851590
3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsulfonamido)benzyl)propanamide
CID 44574354
N-[(4-tert-butylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 57396464
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-[3-ethenyl-4-(methanesulfonamido)phenyl]ethyl]-2-methylprop-2-enamide
CID 57665495
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-2-methylprop-2-enamide
CID 59808968

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide (CID 24685299) is (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide is CC(c1ccc(F)cc1)N(C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide?
The InChIKey is RTZGORFROIQCLS-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14(16-7-9-17(20)10-8-16)22(2)19(23)13-6-15-4-11-18(12-5-15)21-26(3,24)25/h4-14,21H,1-3H3/b13-6+.
What are the key properties of (E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide?
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide has a molecular weight of 376.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 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]-N-methylprop-2-enamide is sourced from PubChem (CID 24685299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).