(E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide

C18H20FNOS — CID 55782625

IUPAC(E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(C)(C)C(NC(=O)/C=C/c1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNOS/c1-18(2,3)17(14-5-7-15(19)8-6-14)20-16(21)9-4-13-10-11-22-12-13/h4-12,17H,1-3H3,(H,20,21)/b9-4+
InChIKeyNEUCYVUYJYSEEJ-RUDMXATFSA-N
MW317.43 g/mol
LogP4.80
Rot. Bonds4

About (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 55782625) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID55782625
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name(E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide
SMILESCC(C)(C)C(NC(=O)/C=C/c1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNOS/c1-18(2,3)17(14-5-7-15(19)8-6-14)20-16(21)9-4-13-10-11-22-12-13/h4-12,17H,1-3H3,(H,20,21)/b9-4+
InChIKeyNEUCYVUYJYSEEJ-RUDMXATFSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.80
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-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-thiophen-3-ylprop-2-enamide
CID 71897876
(E)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-thiophen-3-ylprop-2-enamide
CID 75362464
2,3-dimethyl-2-(3-thiophen-3-ylprop-2-enoylamino)butanoic acid
CID 91943970
(E)-N-[(3R)-5-methyl-2-oxohexan-3-yl]-3-thiophen-3-ylprop-2-enamide
CID 143043731
methyl (2R)-4-methyl-2-(3-thiophen-3-ylprop-2-enoylamino)pentanoate
CID 66772462
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
(E)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 75407584
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide (CID 55782625) is (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide is CC(C)(C)C(NC(=O)/C=C/c1ccsc1)c1ccc(F)cc1.
What is the InChIKey of (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is NEUCYVUYJYSEEJ-RUDMXATFSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-18(2,3)17(14-5-7-15(19)8-6-14)20-16(21)9-4-13-10-11-22-12-13/h4-12,17H,1-3H3,(H,20,21)/b9-4+.
What are the key properties of (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 317.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 55782625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).