N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide

C14H11ClN2O2S — CID 2210626

IUPACN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C14H11ClN2O2S/c15-11-5-2-1-4-10(11)7-8-13(18)16-17-14(19)12-6-3-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-7+
InChIKeyCNJYKVBDIFQIEA-BQYQJAHWSA-N
MW306.77 g/mol
LogP2.88
Rot. Bonds3

About N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide

N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide (PubChem CID 2210626) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
PubChem CID2210626
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1cccs1
InChIInChI=1S/C14H11ClN2O2S/c15-11-5-2-1-4-10(11)7-8-13(18)16-17-14(19)12-6-3-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-7+
InChIKeyCNJYKVBDIFQIEA-BQYQJAHWSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.88
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide (CID 2210626) is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide is O=C(/C=C/c1ccccc1Cl)NNC(=O)c1cccs1.
What is the InChIKey of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The InChIKey is CNJYKVBDIFQIEA-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-11-5-2-1-4-10(11)7-8-13(18)16-17-14(19)12-6-3-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-7+.
What are the key properties of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide has a molecular weight of 306.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 2210626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).