(E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide

C17H20N2OS — CID 9182749

IUPAC(E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide
SMILESCCN(NC(=O)/C=C/c1ccc(C)s1)c1ccc(C)cc1
InChIInChI=1S/C17H20N2OS/c1-4-19(15-8-5-13(2)6-9-15)18-17(20)12-11-16-10-7-14(3)21-16/h5-12H,4H2,1-3H3,(H,18,20)/b12-11+
InChIKeyPFQXQUHPYCHLRP-VAWYXSNFSA-N
MW300.43 g/mol
LogP3.94
Rot. Bonds5

About (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide

(E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide (PubChem CID 9182749) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide
PubChem CID9182749
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide
SMILESCCN(NC(=O)/C=C/c1ccc(C)s1)c1ccc(C)cc1
InChIInChI=1S/C17H20N2OS/c1-4-19(15-8-5-13(2)6-9-15)18-17(20)12-11-16-10-7-14(3)21-16/h5-12H,4H2,1-3H3,(H,18,20)/b12-11+
InChIKeyPFQXQUHPYCHLRP-VAWYXSNFSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
CID 9182397
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 43389925
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 40728169
(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 115612726
(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
CID 9092774
ethyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13145237
(E)-N-(3-methyl-2-propan-2-ylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 102914905
(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103820584
(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113246004
(E)-N-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427455
N-(3-hydroxy-2-methylpropyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77055780
methyl 3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate
CID 47109403

Frequently Asked Questions

What is the IUPAC name of (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide (CID 9182749) is (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide is CCN(NC(=O)/C=C/c1ccc(C)s1)c1ccc(C)cc1.
What is the InChIKey of (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide?
The InChIKey is PFQXQUHPYCHLRP-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-19(15-8-5-13(2)6-9-15)18-17(20)12-11-16-10-7-14(3)21-16/h5-12H,4H2,1-3H3,(H,18,20)/b12-11+.
What are the key properties of (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide?
(E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide has a molecular weight of 300.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethyl-N'-(4-methylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 9182749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).