N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide

C19H19FN4O2S — CID 8942207

IUPACN-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=S)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2S/c1-13(25)22-17(11-14-5-3-2-4-6-14)18(26)23-24-19(27)21-12-15-7-9-16(20)10-8-15/h2-11H,12H2,1H3,(H,22,25)(H,23,26)(H2,21,24,27)/b17-11-
InChIKeyDDBQIKWTORWXCS-BOPFTXTBSA-N
MW386.45 g/mol
LogP2.00
Rot. Bonds5

About N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide

N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide (PubChem CID 8942207) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
PubChem CID8942207
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC NameN-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=S)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2S/c1-13(25)22-17(11-14-5-3-2-4-6-14)18(26)23-24-19(27)21-12-15-7-9-16(20)10-8-15/h2-11H,12H2,1H3,(H,22,25)(H,23,26)(H2,21,24,27)/b17-11-
InChIKeyDDBQIKWTORWXCS-BOPFTXTBSA-N
XLogP2.00
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.00
H-Bond Donors ≤ 54
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 34501494
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N-[(benzylcarbamothioylamino)carbamothioyl]-4-fluorobenzamide
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(Z)-2-acetamido-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8545344
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CID 8942492
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CID 5399285
N-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide
CID 134104686
(2R)-2-[[(Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-phenylpropanoate
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N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426715
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide (CID 8942207) is N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide is CC(=O)N/C(=C\c1ccccc1)C(=O)NNC(=S)NCc1ccc(F)cc1.
What is the InChIKey of N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The InChIKey is DDBQIKWTORWXCS-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-13(25)22-17(11-14-5-3-2-4-6-14)18(26)23-24-19(27)21-12-15-7-9-16(20)10-8-15/h2-11H,12H2,1H3,(H,22,25)(H,23,26)(H2,21,24,27)/b17-11-.
What are the key properties of N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide is sourced from PubChem (CID 8942207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).