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

C18H18FNOS — CID 75362394

IUPAC(E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C1CC1
InChIInChI=1S/C18H18FNOS/c1-2-20(15-7-8-15)18(21)12-10-16-9-11-17(22-16)13-3-5-14(19)6-4-13/h3-6,9-12,15H,2,7-8H2,1H3/b12-10+
InChIKeyYTZXZHKDGVRNNB-ZRDIBKRKSA-N
MW315.41 g/mol
LogP4.58
Rot. Bonds5

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

(E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide (PubChem CID 75362394) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
PubChem CID75362394
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name(E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C1CC1
InChIInChI=1S/C18H18FNOS/c1-2-20(15-7-8-15)18(21)12-10-16-9-11-17(22-16)13-3-5-14(19)6-4-13/h3-6,9-12,15H,2,7-8H2,1H3/b12-10+
InChIKeyYTZXZHKDGVRNNB-ZRDIBKRKSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1,1-dioxothiolan-3-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-prop-2-enylprop-2-enamide
CID 60560844
(E)-N-(1,1-dioxothiolan-3-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide
CID 46558649
methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
CID 113220269
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide
CID 55504618
N-butyl-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 76859178
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 42938969
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 43072228
1,5-bis[5-(4-methylphenyl)thiophen-2-yl]penta-1,4-dien-3-one
CID 71398985
(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 55377955
ethyl (E)-3-[5-(4-methylphenyl)thiophen-2-yl]prop-2-enoate
CID 70958646
3-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-6-methylpyran-2,4-dione
CID 42883847
2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-cyclopropylamino]acetic acid
CID 54946119

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide (CID 75362394) is (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide is CCN(C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The InChIKey is YTZXZHKDGVRNNB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-2-20(15-7-8-15)18(21)12-10-16-9-11-17(22-16)13-3-5-14(19)6-4-13/h3-6,9-12,15H,2,7-8H2,1H3/b12-10+.
What are the key properties of (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide?
(E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide has a molecular weight of 315.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide is sourced from PubChem (CID 75362394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).