(E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide

C18H18FNOS — CID 75363602

IUPAC(E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide
SMILESCN(CC1CC1)C(=O)/C=C/c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C18H18FNOS/c1-20(12-13-6-7-13)18(21)11-9-14-8-10-17(22-14)15-4-2-3-5-16(15)19/h2-5,8-11,13H,6-7,12H2,1H3/b11-9+
InChIKeyLDTHKZILLWWZPQ-PKNBQFBNSA-N
MW315.41 g/mol
LogP4.44
Rot. Bonds5

About (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide

(E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide (PubChem CID 75363602) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide
PubChem CID75363602
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name(E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide
SMILESCN(CC1CC1)C(=O)/C=C/c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C18H18FNOS/c1-20(12-13-6-7-13)18(21)11-9-14-8-10-17(22-14)15-4-2-3-5-16(15)19/h2-5,8-11,13H,6-7,12H2,1H3/b11-9+
InChIKeyLDTHKZILLWWZPQ-PKNBQFBNSA-N
XLogP4.44
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 ≤ 54.44
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-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
(E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 43025563
N-Butyl-5-(3,4-difluorophenyl)-N-methyl-2-thiophenecarboxamide
CID 46082631
N-butyl-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
CID 46082636
5-(4-fluorophenyl)-N-methyl-N-propylthiophene-2-carboxamide
CID 46083001
(E)-N-butyl-2-cyano-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 46508133
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 17473739
(E)-N-(3-ethoxypropyl)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 40140652
N-(2-(2,4-difluorophenyl)-1-{1-[(2E)-3-(2-thienyl)-2-propenoyl]-4-piperidinyl}ethyl)-N-methylcyclopropanecarboxamide
CID 45174068
(E)-1-(4-(2-(4-fluorophenyl)cyclopropanecarbonyl)piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 45587872
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-(1-oxo-1,4-thiazinan-4-yl)prop-2-en-1-one
CID 53540328
[4-(4-Fluorophenyl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 129316270

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide?
The IUPAC name of (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide (CID 75363602) is (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide is CN(CC1CC1)C(=O)/C=C/c1ccc(-c2ccccc2F)s1.
What is the InChIKey of (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide?
The InChIKey is LDTHKZILLWWZPQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-20(12-13-6-7-13)18(21)11-9-14-8-10-17(22-14)15-4-2-3-5-16(15)19/h2-5,8-11,13H,6-7,12H2,1H3/b11-9+.
What are the key properties of (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide?
(E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide has a molecular weight of 315.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclopropylmethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 75363602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).