7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide

C23H27FN2O3S — CID 140553186

IUPAC7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide
SMILESCSc1ccc(/C=C(\C(=O)NCCCCCCC(=O)NO)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O3S/c1-30-20-13-7-17(8-14-20)16-21(18-9-11-19(24)12-10-18)23(28)25-15-5-3-2-4-6-22(27)26-29/h7-14,16,29H,2-6,15H2,1H3,(H,25,28)(H,26,27)/b21-16-
InChIKeyUWOLQCFZNNRZKN-PGMHBOJBSA-N
MW430.55 g/mol
LogP4.66
Rot. Bonds11

About 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide

7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide (PubChem CID 140553186) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide
PubChem CID140553186
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide
SMILESCSc1ccc(/C=C(\C(=O)NCCCCCCC(=O)NO)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O3S/c1-30-20-13-7-17(8-14-20)16-21(18-9-11-19(24)12-10-18)23(28)25-15-5-3-2-4-6-22(27)26-29/h7-14,16,29H,2-6,15H2,1H3,(H,25,28)(H,26,27)/b21-16-
InChIKeyUWOLQCFZNNRZKN-PGMHBOJBSA-N
XLogP4.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide (CID 140553186) is 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide is CSc1ccc(/C=C(\C(=O)NCCCCCCC(=O)NO)c2ccc(F)cc2)cc1.
What is the InChIKey of 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide?
The InChIKey is UWOLQCFZNNRZKN-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-30-20-13-7-17(8-14-20)16-21(18-9-11-19(24)12-10-18)23(28)25-15-5-3-2-4-6-22(27)26-29/h7-14,16,29H,2-6,15H2,1H3,(H,25,28)(H,26,27)/b21-16-.
What are the key properties of 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide?
7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide has a molecular weight of 430.55 g/mol, XLogP of 4.66, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide is sourced from PubChem (CID 140553186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).