(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide

C20H16FNOS — CID 8853725

IUPAC(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H16FNOS/c21-17-11-8-15(9-12-17)10-13-19(23)22-20(18-7-4-14-24-18)16-5-2-1-3-6-16/h1-14,20H,(H,22,23)/b13-10+/t20-/m1/s1
InChIKeyIRAGZHZJSFZABO-XEDBTPMOSA-N
MW337.42 g/mol
LogP4.81
Rot. Bonds5

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

(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide (PubChem CID 8853725) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
PubChem CID8853725
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC Name(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C20H16FNOS/c21-17-11-8-15(9-12-17)10-13-19(23)22-20(18-7-4-14-24-18)16-5-2-1-3-6-16/h1-14,20H,(H,22,23)/b13-10+/t20-/m1/s1
InChIKeyIRAGZHZJSFZABO-XEDBTPMOSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55389512
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 9334071
(E)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 33087482
(E)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46565152
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 46449714
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 46566075
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]prop-2-enamide
CID 40984860
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 71892659
(E)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 46565175
(E)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 46565118
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 17327962

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide (CID 8853725) is (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)N[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide?
The InChIKey is IRAGZHZJSFZABO-XEDBTPMOSA-N. The full InChI is InChI=1S/C20H16FNOS/c21-17-11-8-15(9-12-17)10-13-19(23)22-20(18-7-4-14-24-18)16-5-2-1-3-6-16/h1-14,20H,(H,22,23)/b13-10+/t20-/m1/s1.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 8853725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).