(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C18H21NO2S — CID 122664040

IUPAC(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)N(CC)Cc2cccs2)cc1O
InChIInChI=1S/C18H21NO2S/c1-3-15-9-7-14(12-17(15)20)8-10-18(21)19(4-2)13-16-6-5-11-22-16/h5-12,20H,3-4,13H2,1-2H3/b10-8+
InChIKeyRGGMGGXRJXQVAV-CSKARUKUSA-N
MW315.44 g/mol
LogP4.08
Rot. Bonds6

About (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 122664040) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID122664040
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)N(CC)Cc2cccs2)cc1O
InChIInChI=1S/C18H21NO2S/c1-3-15-9-7-14(12-17(15)20)8-10-18(21)19(4-2)13-16-6-5-11-22-16/h5-12,20H,3-4,13H2,1-2H3/b10-8+
InChIKeyRGGMGGXRJXQVAV-CSKARUKUSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516260
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516247
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55373046
N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 123311433
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 78802720
(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134014371
3-[3-fluoro-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76908168
(E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 8700034
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
3-[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918900
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 122664040) is (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CCc1ccc(/C=C/C(=O)N(CC)Cc2cccs2)cc1O.
What is the InChIKey of (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is RGGMGGXRJXQVAV-CSKARUKUSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-15-9-7-14(12-17(15)20)8-10-18(21)19(4-2)13-16-6-5-11-22-16/h5-12,20H,3-4,13H2,1-2H3/b10-8+.
What are the key properties of (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 315.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 122664040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).