(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide

C18H18FNO2S — CID 43072228

IUPAC(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCC1CCCO1
InChIInChI=1S/C18H18FNO2S/c19-14-5-3-13(4-6-14)17-9-7-16(23-17)8-10-18(21)20-12-15-2-1-11-22-15/h3-10,15H,1-2,11-12H2,(H,20,21)/b10-8+
InChIKeyNVZVBYRMEPKNLO-CSKARUKUSA-N
MW331.41 g/mol
LogP3.86
Rot. Bonds5

About (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide

(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 43072228) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID43072228
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCC1CCCO1
InChIInChI=1S/C18H18FNO2S/c19-14-5-3-13(4-6-14)17-9-7-16(23-17)8-10-18(21)20-12-15-2-1-11-22-15/h3-10,15H,1-2,11-12H2,(H,20,21)/b10-8+
InChIKeyNVZVBYRMEPKNLO-CSKARUKUSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.86
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

(E)-3-(5-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 51148126
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 16563181
2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 55415747
(E)-3-(3-bromophenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 7964689
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
(E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 75362394
4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 100749423
(E)-3-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 47136479

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 43072228) is (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)NCC1CCCO1.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is NVZVBYRMEPKNLO-CSKARUKUSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-14-5-3-13(4-6-14)17-9-7-16(23-17)8-10-18(21)20-12-15-2-1-11-22-15/h3-10,15H,1-2,11-12H2,(H,20,21)/b10-8+.
What are the key properties of (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 331.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 43072228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).