N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide

C15H14N2O2S — CID 917715

IUPACN'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESCc1ccc(C=CC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H14N2O2S/c1-11-4-6-12(7-5-11)8-9-14(18)16-17-15(19)13-3-2-10-20-13/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKeyACABQJXNJOOKBF-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.53
Rot. Bonds3

About N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide

N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide (PubChem CID 917715) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
PubChem CID917715
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
SMILESCc1ccc(C=CC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H14N2O2S/c1-11-4-6-12(7-5-11)8-9-14(18)16-17-15(19)13-3-2-10-20-13/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKeyACABQJXNJOOKBF-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.53
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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Related Compounds

N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479090
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
3-(thiophene-2-carbonylamino)propyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 84558628
N-[(E)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
CID 118706233
N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 9479330
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11652550
N'-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 3315853
3-(5-methylfuran-2-yl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide
CID 5179745
N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 1315625
N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide
CID 6233838

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide (CID 917715) is N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide is Cc1ccc(C=CC(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
The InChIKey is ACABQJXNJOOKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-4-6-12(7-5-11)8-9-14(18)16-17-15(19)13-3-2-10-20-13/h2-10H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide?
N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide has a molecular weight of 286.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 917715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).