(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide

C18H19NOS — CID 24614536

IUPAC(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C18H19NOS/c20-17(8-7-15-9-12-21-13-15)19-14-18(10-4-11-18)16-5-2-1-3-6-16/h1-3,5-9,12-13H,4,10-11,14H2,(H,19,20)/b8-7+
InChIKeyJNGYXBUGNPWRSM-BQYQJAHWSA-N
MW297.42 g/mol
LogP4.00
Rot. Bonds5

About (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 24614536) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID24614536
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C18H19NOS/c20-17(8-7-15-9-12-21-13-15)19-14-18(10-4-11-18)16-5-2-1-3-6-16/h1-3,5-9,12-13H,4,10-11,14H2,(H,19,20)/b8-7+
InChIKeyJNGYXBUGNPWRSM-BQYQJAHWSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.00
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

(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide
CID 24614598
3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
CID 71961166
(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
CID 98448468
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30308521
(E)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-thiophen-3-ylprop-2-enamide
CID 95367859
(E)-N-(2-hydroxy-3-phenylpropyl)-3-thiophen-3-ylprop-2-enamide
CID 56765287
3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
CID 71960903
N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1308572
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30664702

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide (CID 24614536) is (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)NCC1(c2ccccc2)CCC1.
What is the InChIKey of (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is JNGYXBUGNPWRSM-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19NOS/c20-17(8-7-15-9-12-21-13-15)19-14-18(10-4-11-18)16-5-2-1-3-6-16/h1-3,5-9,12-13H,4,10-11,14H2,(H,19,20)/b8-7+.
What are the key properties of (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 297.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 24614536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).