2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide

C16H16N2O2S — CID 9220828

IUPAC2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)/C=C/c1sccc1C
InChIInChI=1S/C16H16N2O2S/c1-11-5-3-4-6-13(11)16(20)18-17-15(19)8-7-14-12(2)9-10-21-14/h3-10H,1-2H3,(H,17,19)(H,18,20)/b8-7+
InChIKeyCSWORZUUSOJMOH-BQYQJAHWSA-N
MW300.38 g/mol
LogP2.84
Rot. Bonds3

About 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide

2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide (PubChem CID 9220828) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide
PubChem CID9220828
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)/C=C/c1sccc1C
InChIInChI=1S/C16H16N2O2S/c1-11-5-3-4-6-13(11)16(20)18-17-15(19)8-7-14-12(2)9-10-21-14/h3-10H,1-2H3,(H,17,19)(H,18,20)/b8-7+
InChIKeyCSWORZUUSOJMOH-BQYQJAHWSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
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'}

Analyze 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N'-[3-(3-methylthiophen-2-yl)prop-2-enoyl]pyrrole-2-carbohydrazide
CID 73393414
methyl 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate
CID 31511788
(Z)-N'-(2-chloroacetyl)-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
CID 6141778
N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 76872160
2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 909150
(E)-3-(3-methylthiophen-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078172
(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60636518
2-methyl-N-[4-[(3-thiophen-2-ylprop-2-enoylamino)carbamoyl]phenyl]benzamide
CID 3391223
(E)-N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6301421
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
3-chloro-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 107046983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide (CID 9220828) is 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)/C=C/c1sccc1C.
What is the InChIKey of 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is CSWORZUUSOJMOH-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-5-3-4-6-13(11)16(20)18-17-15(19)8-7-14-12(2)9-10-21-14/h3-10H,1-2H3,(H,17,19)(H,18,20)/b8-7+.
What are the key properties of 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide?
2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 300.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9220828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).