N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide

C20H24N2O3S2 — CID 74374714

IUPACN-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide
SMILESCSc1ccc(C=C(C(=O)NCCCCCC(=O)NO)c2cccs2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-26-16-10-8-15(9-11-16)14-17(18-6-5-13-27-18)20(24)21-12-4-2-3-7-19(23)22-25/h5-6,8-11,13-14,25H,2-4,7,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyMZYJYVVNVRUWJE-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.19
Rot. Bonds10

About N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide

N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide (PubChem CID 74374714) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide
PubChem CID74374714
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC NameN-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide
SMILESCSc1ccc(C=C(C(=O)NCCCCCC(=O)NO)c2cccs2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-26-16-10-8-15(9-11-16)14-17(18-6-5-13-27-18)20(24)21-12-4-2-3-7-19(23)22-25/h5-6,8-11,13-14,25H,2-4,7,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyMZYJYVVNVRUWJE-UHFFFAOYSA-N
XLogP4.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.19
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

7-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-hydroxyheptanamide
CID 140553186
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]carbamoylamino]-N-hydroxyhexanamide
CID 140553182
(Z)-3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 70201562
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)hexanamide
CID 24963142
6-[[(Z)-2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-phenylmethoxyhexanamide
CID 24963204
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-[[2-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]-N-(5-methyl-1,3-benzothiazol-2-yl)hexanamide
CID 74374693
N-[4-[3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 2865585
6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374698
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
6-[[(Z)-3-(3,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 24963120

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide?
The IUPAC name of N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide (CID 74374714) is N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide.
What is the SMILES notation for N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide?
The canonical SMILES for N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide is CSc1ccc(C=C(C(=O)NCCCCCC(=O)NO)c2cccs2)cc1.
What is the InChIKey of N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide?
The InChIKey is MZYJYVVNVRUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-26-16-10-8-15(9-11-16)14-17(18-6-5-13-27-18)20(24)21-12-4-2-3-7-19(23)22-25/h5-6,8-11,13-14,25H,2-4,7,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide?
N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide has a molecular weight of 404.56 g/mol, XLogP of 4.19, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[3-(4-methylsulfanylphenyl)-2-thiophen-2-ylprop-2-enoyl]amino]hexanamide is sourced from PubChem (CID 74374714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).