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

C15H14N2O3S — CID 969141

IUPACN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c1-20-12-6-3-2-5-11(12)8-9-14(18)16-17-15(19)13-7-4-10-21-13/h2-10H,1H3,(H,16,18)(H,17,19)/b9-8+
InChIKeyVPNXUAMHYPROCV-CMDGGOBGSA-N
MW302.36 g/mol
LogP2.23
Rot. Bonds4

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

N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide (PubChem CID 969141) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
PubChem CID969141
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESCOc1ccccc1/C=C/C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c1-20-12-6-3-2-5-11(12)8-9-14(18)16-17-15(19)13-7-4-10-21-13/h2-10H,1H3,(H,16,18)(H,17,19)/b9-8+
InChIKeyVPNXUAMHYPROCV-CMDGGOBGSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.23
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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Related Compounds

N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861722
N'-(3-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 6880401
4-methoxy-N'-(2-thienylacetyl)benzohydrazide
CID 748727
N'-[2-(2-methoxyphenyl)acetyl]thiophene-2-carbohydrazide
CID 809222
3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 2102438
N'-(5-chloro-2-methoxybenzoyl)thiophene-2-carbohydrazide
CID 2408294
2-phenoxy-N'-(2-thienylcarbonyl)propanohydrazide
CID 3115419
2-methoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 4787489
(2E)-2-{[(thiophen-2-yl)formamido]imino}-2H-chromene-3-carboxamide
CID 6056754
2-({3-[(4-Methylbenzyl)oxy]-2-thienyl}carbonyl)-1-hydrazinecarbothioamide
CID 1482507
3-{[3-(Trifluoromethyl)benzyl]oxy}-2-thiophenecarbohydrazide
CID 1482511
(E)-3-(4-methoxyphenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide
CID 1932984

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide (CID 969141) is N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide is COc1ccccc1/C=C/C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The InChIKey is VPNXUAMHYPROCV-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-12-6-3-2-5-11(12)8-9-14(18)16-17-15(19)13-7-4-10-21-13/h2-10H,1H3,(H,16,18)(H,17,19)/b9-8+.
What are the key properties of N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide has a molecular weight of 302.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 969141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).