6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide

C23H26FN3O4S — CID 140553182

IUPAC6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide
SMILESCSc1ccc(/C=C(\C(=O)NC(=O)NCCCCCC(=O)NO)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O4S/c1-32-19-12-6-16(7-13-19)15-20(17-8-10-18(24)11-9-17)22(29)26-23(30)25-14-4-2-3-5-21(28)27-31/h6-13,15,31H,2-5,14H2,1H3,(H,27,28)(H2,25,26,29,30)/b20-15-
InChIKeyKZZWUTWMZISFEC-HKWRFOASSA-N
MW459.54 g/mol
LogP3.98
Rot. Bonds10

About 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide

6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide (PubChem CID 140553182) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide
PubChem CID140553182
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide
SMILESCSc1ccc(/C=C(\C(=O)NC(=O)NCCCCCC(=O)NO)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FN3O4S/c1-32-19-12-6-16(7-13-19)15-20(17-8-10-18(24)11-9-17)22(29)26-23(30)25-14-4-2-3-5-21(28)27-31/h6-13,15,31H,2-5,14H2,1H3,(H,27,28)(H2,25,26,29,30)/b20-15-
InChIKeyKZZWUTWMZISFEC-HKWRFOASSA-N
XLogP3.98
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide
CID 140553186
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 140553192
6-[[3-(3,4-difluorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374695
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-phenylmethoxyhexanamide
CID 24963204
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)hexanamide
CID 24963142
N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide
CID 74374714
6-[[2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-(5-methyl-1,3-benzothiazol-2-yl)hexanamide
CID 74374693
6-[[3-(5-chlorofuran-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374708
6-[[(E)-3-(5-chlorofuran-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 87243711
6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 87243849
methyl 6-[[2-(4-fluorophenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]carbamoylamino]hexanoate
CID 68536410
ethane;(Z)-N-hexyl-3-(4-methylsulfanylphenyl)-2-(4-nitrophenyl)prop-2-enamide;N-hydroxyformamide
CID 143455005

Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide (CID 140553182) is 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide is CSc1ccc(/C=C(\C(=O)NC(=O)NCCCCCC(=O)NO)c2ccc(F)cc2)cc1.
What is the InChIKey of 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide?
The InChIKey is KZZWUTWMZISFEC-HKWRFOASSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-32-19-12-6-16(7-13-19)15-20(17-8-10-18(24)11-9-17)22(29)26-23(30)25-14-4-2-3-5-21(28)27-31/h6-13,15,31H,2-5,14H2,1H3,(H,27,28)(H2,25,26,29,30)/b20-15-.
What are the key properties of 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide?
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide has a molecular weight of 459.54 g/mol, XLogP of 3.98, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 140553182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).