2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide

C19H16N2O3S — CID 26260570

IUPAC2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H16N2O3S/c1-13-16(11-12-24-13)19(23)21-20-18(22)10-8-15-7-9-17(25-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)(H,21,23)/b10-8+
InChIKeyJMLZNMIJRVIFGL-CSKARUKUSA-N
MW352.42 g/mol
LogP3.79
Rot. Bonds4

About 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide

2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide (PubChem CID 26260570) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide
PubChem CID26260570
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H16N2O3S/c1-13-16(11-12-24-13)19(23)21-20-18(22)10-8-15-7-9-17(25-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)(H,21,23)/b10-8+
InChIKeyJMLZNMIJRVIFGL-CSKARUKUSA-N
XLogP3.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide (CID 26260570) is 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide?
The InChIKey is JMLZNMIJRVIFGL-CSKARUKUSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-13-16(11-12-24-13)19(23)21-20-18(22)10-8-15-7-9-17(25-15)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)(H,21,23)/b10-8+.
What are the key properties of 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide?
2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide has a molecular weight of 352.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide is sourced from PubChem (CID 26260570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).