6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

C22H25FN2O5S — CID 140553192

IUPAC6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESCS(=O)(=O)c1ccc(/C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN2O5S/c1-31(29,30)19-12-6-16(7-13-19)15-20(17-8-10-18(23)11-9-17)22(27)24-14-4-2-3-5-21(26)25-28/h6-13,15,28H,2-5,14H2,1H3,(H,24,27)(H,25,26)/b20-15-
InChIKeyBNCYFRUSYWFWNO-HKWRFOASSA-N
MW448.52 g/mol
LogP2.95
Rot. Bonds10

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

6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (PubChem CID 140553192) has the molecular formula C22H25FN2O5S and a molecular weight of 448.52 g/mol. Its IUPAC name is 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
PubChem CID140553192
Molecular FormulaC22H25FN2O5S
Molecular Weight448.52 g/mol
Exact Mass448.15
IUPAC Name6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESCS(=O)(=O)c1ccc(/C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN2O5S/c1-31(29,30)19-12-6-16(7-13-19)15-20(17-8-10-18(23)11-9-17)22(27)24-14-4-2-3-5-21(26)25-28/h6-13,15,28H,2-5,14H2,1H3,(H,24,27)(H,25,26)/b20-15-
InChIKeyBNCYFRUSYWFWNO-HKWRFOASSA-N
XLogP2.95
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.95
H-Bond Donors ≤ 53
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
N-(2-aminophenyl)-6-[[2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]hexanamide
CID 74438608
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]carbamoylamino]-N-hydroxyhexanamide
CID 140553182
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
6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 24963120
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-phenylmethoxyhexanamide
CID 24963204
6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374698
6-[[2-(4-fluorophenyl)-3-(4-methanethioylphenyl)prop-2-enoyl]amino]-N-phenylmethoxyhexanamide
CID 88879251
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)hexanamide
CID 24963142

Frequently Asked Questions

What is the IUPAC name of 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (CID 140553192) is 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is CS(=O)(=O)c1ccc(/C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(F)cc2)cc1.
What is the InChIKey of 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The InChIKey is BNCYFRUSYWFWNO-HKWRFOASSA-N. The full InChI is InChI=1S/C22H25FN2O5S/c1-31(29,30)19-12-6-16(7-13-19)15-20(17-8-10-18(23)11-9-17)22(27)24-14-4-2-3-5-21(26)25-28/h6-13,15,28H,2-5,14H2,1H3,(H,24,27)(H,25,26)/b20-15-.
What are the key properties of 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide has a molecular weight of 448.52 g/mol, XLogP of 2.95, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 140553192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).