N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide

C21H26N2O4S — CID 173087169

IUPACN-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide
SMILESCOc1ccc(C(=Cc2cc(C)cs2)C(=O)NCCCCCC(=O)NO)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-12-18(28-14-15)13-19(16-7-9-17(27-2)10-8-16)21(25)22-11-5-3-4-6-20(24)23-26/h7-10,12-14,26H,3-6,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLMFKEUILRAVPAU-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.79
Rot. Bonds10

About N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide

N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide (PubChem CID 173087169) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide
PubChem CID173087169
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide
SMILESCOc1ccc(C(=Cc2cc(C)cs2)C(=O)NCCCCCC(=O)NO)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-12-18(28-14-15)13-19(16-7-9-17(27-2)10-8-16)21(25)22-11-5-3-4-6-20(24)23-26/h7-10,12-14,26H,3-6,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLMFKEUILRAVPAU-UHFFFAOYSA-N
XLogP3.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.79
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'}

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Related Compounds

6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 24963120
methyl 6-[[2-(4-fluorophenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]carbamoylamino]hexanoate
CID 68536410
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
6-[[(E)-3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 87243849
N-hydroxy-4-[[[3-(4-methylthiophen-2-yl)-2-thiophen-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 173087571
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
6-[[3-(3,4-difluorophenyl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374695
6-[[3-(5-chlorofuran-2-yl)-2-(4-fluorophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374708
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
N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide
CID 86581151
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide?
The IUPAC name of N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide (CID 173087169) is N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide.
What is the SMILES notation for N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide?
The canonical SMILES for N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide is COc1ccc(C(=Cc2cc(C)cs2)C(=O)NCCCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide?
The InChIKey is LMFKEUILRAVPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-12-18(28-14-15)13-19(16-7-9-17(27-2)10-8-16)21(25)22-11-5-3-4-6-20(24)23-26/h7-10,12-14,26H,3-6,11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide?
N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide has a molecular weight of 402.52 g/mol, XLogP of 3.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[2-(4-methoxyphenyl)-3-(4-methylthiophen-2-yl)prop-2-enoyl]amino]hexanamide is sourced from PubChem (CID 173087169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).