(E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide

C17H20N2O3S — CID 94660157

IUPAC(E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCCOc1ccc([C@@H](C)NC(=O)/C=C/c2nccs2)cc1OC
InChIInChI=1S/C17H20N2O3S/c1-4-22-14-6-5-13(11-15(14)21-3)12(2)19-16(20)7-8-17-18-9-10-23-17/h5-12H,4H2,1-3H3,(H,19,20)/b8-7+/t12-/m1/s1
InChIKeyYNZHLMQNMGTTDC-ABZNLYFFSA-N
MW332.43 g/mol
LogP3.44
Rot. Bonds7

About (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide

(E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 94660157) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID94660157
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESCCOc1ccc([C@@H](C)NC(=O)/C=C/c2nccs2)cc1OC
InChIInChI=1S/C17H20N2O3S/c1-4-22-14-6-5-13(11-15(14)21-3)12(2)19-16(20)7-8-17-18-9-10-23-17/h5-12H,4H2,1-3H3,(H,19,20)/b8-7+/t12-/m1/s1
InChIKeyYNZHLMQNMGTTDC-ABZNLYFFSA-N
XLogP3.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 108760135
3-(3-ethoxy-4-methoxyphenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 78775696
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 28560821
4-[1-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 61172423
(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 94446827
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
CID 55797709
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide (CID 94660157) is (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide is CCOc1ccc([C@@H](C)NC(=O)/C=C/c2nccs2)cc1OC.
What is the InChIKey of (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is YNZHLMQNMGTTDC-ABZNLYFFSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-22-14-6-5-13(11-15(14)21-3)12(2)19-16(20)7-8-17-18-9-10-23-17/h5-12H,4H2,1-3H3,(H,19,20)/b8-7+/t12-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 332.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 94660157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).