(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide

C19H22N2O4S — CID 9428471

IUPAC(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/c2ccc(C)s2)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-24-15-6-8-16(9-7-15)25-14(3)19(23)21-20-18(22)12-11-17-10-5-13(2)26-17/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/b12-11+/t14-/m0/s1
InChIKeyMYIHKLZDMKFCMA-GETOMWPZSA-N
MW374.46 g/mol
LogP3.08
Rot. Bonds7

About (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide

(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide (PubChem CID 9428471) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide
PubChem CID9428471
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/c2ccc(C)s2)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-24-15-6-8-16(9-7-15)25-14(3)19(23)21-20-18(22)12-11-17-10-5-13(2)26-17/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/b12-11+/t14-/m0/s1
InChIKeyMYIHKLZDMKFCMA-GETOMWPZSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9343640
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9022616
(2S)-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343247
N'-[(E)-3-(2-cyanophenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55463768
N'-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55343881
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55343921
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 55344133
N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9480421
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 8679739
(2R)-2-(4-fluorophenoxy)-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]propanehydrazide
CID 9367846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide?
The IUPAC name of (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide (CID 9428471) is (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide.
What is the SMILES notation for (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide?
The canonical SMILES for (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)/C=C/c2ccc(C)s2)cc1.
What is the InChIKey of (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide?
The InChIKey is MYIHKLZDMKFCMA-GETOMWPZSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-24-15-6-8-16(9-7-15)25-14(3)19(23)21-20-18(22)12-11-17-10-5-13(2)26-17/h5-12,14H,4H2,1-3H3,(H,20,22)(H,21,23)/b12-11+/t14-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide?
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide has a molecular weight of 374.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]propanehydrazide is sourced from PubChem (CID 9428471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).