(E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide

C25H23N3O2S — CID 108753193

IUPAC(E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C25H23N3O2S/c29-24(26-15-14-22-25(28-18-27-22)23-7-4-16-31-23)13-10-19-8-11-21(12-9-19)30-17-20-5-2-1-3-6-20/h1-13,16,18H,14-15,17H2,(H,26,29)(H,27,28)/b13-10+
InChIKeyRSKFAUGZFFUYJW-JLHYYAGUSA-N
MW429.55 g/mol
LogP5.09
Rot. Bonds9

About (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide

(E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide (PubChem CID 108753193) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide
PubChem CID108753193
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name(E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCCc1[nH]cnc1-c1cccs1
InChIInChI=1S/C25H23N3O2S/c29-24(26-15-14-22-25(28-18-27-22)23-7-4-16-31-23)13-10-19-8-11-21(12-9-19)30-17-20-5-2-1-3-6-20/h1-13,16,18H,14-15,17H2,(H,26,29)(H,27,28)/b13-10+
InChIKeyRSKFAUGZFFUYJW-JLHYYAGUSA-N
XLogP5.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 108753135
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26913059
(E)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108760285
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
(E)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19181660
3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 1472309
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525
N-(2-phenylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 4022012
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide (CID 108753193) is (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCCc1[nH]cnc1-c1cccs1.
What is the InChIKey of (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide?
The InChIKey is RSKFAUGZFFUYJW-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H23N3O2S/c29-24(26-15-14-22-25(28-18-27-22)23-7-4-16-31-23)13-10-19-8-11-21(12-9-19)30-17-20-5-2-1-3-6-20/h1-13,16,18H,14-15,17H2,(H,26,29)(H,27,28)/b13-10+.
What are the key properties of (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide?
(E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide has a molecular weight of 429.55 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-phenylmethoxyphenyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 108753193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).