6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

C19H20ClFN2O3S — CID 87243849

IUPAC6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=O)/C(=C/c1ccc(Cl)s1)c1ccc(F)cc1)NO
InChIInChI=1S/C19H20ClFN2O3S/c20-17-10-9-15(27-17)12-16(13-5-7-14(21)8-6-13)19(25)22-11-3-1-2-4-18(24)23-26/h5-10,12,26H,1-4,11H2,(H,22,25)(H,23,24)/b16-12+
InChIKeyHLKHVQHMAMPYQZ-FOWTUZBSSA-N
MW410.90 g/mol
LogP4.26
Rot. Bonds9

About 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide

6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (PubChem CID 87243849) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
PubChem CID87243849
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=O)/C(=C/c1ccc(Cl)s1)c1ccc(F)cc1)NO
InChIInChI=1S/C19H20ClFN2O3S/c20-17-10-9-15(27-17)12-16(13-5-7-14(21)8-6-13)19(25)22-11-3-1-2-4-18(24)23-26/h5-10,12,26H,1-4,11H2,(H,22,25)(H,23,24)/b16-12+
InChIKeyHLKHVQHMAMPYQZ-FOWTUZBSSA-N
XLogP4.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.26
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'}

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Related Compounds

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-[[3-(3,4-difluorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374695
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-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide
CID 140553182
N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide
CID 173087169
6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 24963120
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172
methyl 6-[[2-(4-fluorophenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]carbamoylamino]hexanoate
CID 68536410
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

Frequently Asked Questions

What is the IUPAC name of 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide (CID 87243849) is 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is O=C(CCCCCNC(=O)/C(=C/c1ccc(Cl)s1)c1ccc(F)cc1)NO.
What is the InChIKey of 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
The InChIKey is HLKHVQHMAMPYQZ-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-17-10-9-15(27-17)12-16(13-5-7-14(21)8-6-13)19(25)22-11-3-1-2-4-18(24)23-26/h5-10,12,26H,1-4,11H2,(H,22,25)(H,23,24)/b16-12+.
What are the key properties of 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide?
6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide has a molecular weight of 410.90 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 87243849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).