3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide

C17H17NOS — CID 71961166

IUPAC3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC1(c2cccs2)CC1
InChIInChI=1S/C17H17NOS/c19-16(9-8-14-5-2-1-3-6-14)18-13-17(10-11-17)15-7-4-12-20-15/h1-9,12H,10-11,13H2,(H,18,19)
InChIKeyMZCNJMYRTBCEOE-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.61
Rot. Bonds5

About 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide

3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide (PubChem CID 71961166) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
PubChem CID71961166
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC1(c2cccs2)CC1
InChIInChI=1S/C17H17NOS/c19-16(9-8-14-5-2-1-3-6-14)18-13-17(10-11-17)15-7-4-12-20-15/h1-9,12H,10-11,13H2,(H,18,19)
InChIKeyMZCNJMYRTBCEOE-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.61
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

3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
CID 71960903
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 24614536
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30308521
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-phenylprop-2-enamide
CID 60576380
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 115362327
(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 98448468
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91817472
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-phenylprop-2-enamide
CID 171134458

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide?
The IUPAC name of 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide (CID 71961166) is 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide?
The canonical SMILES for 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide is O=C(C=Cc1ccccc1)NCC1(c2cccs2)CC1.
What is the InChIKey of 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide?
The InChIKey is MZCNJMYRTBCEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-16(9-8-14-5-2-1-3-6-14)18-13-17(10-11-17)15-7-4-12-20-15/h1-9,12H,10-11,13H2,(H,18,19).
What are the key properties of 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide?
3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide has a molecular weight of 283.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide is sourced from PubChem (CID 71961166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).