(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide

C15H23NO2S — CID 110026098

IUPAC(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide
SMILESCC/C(C)=C(/C)C(=O)NC(C)CC(O)c1cccs1
InChIInChI=1S/C15H23NO2S/c1-5-10(2)12(4)15(18)16-11(3)9-13(17)14-7-6-8-19-14/h6-8,11,13,17H,5,9H2,1-4H3,(H,16,18)/b12-10-
InChIKeyJQQDPUNHXKWWJN-BENRWUELSA-N
MW281.42 g/mol
LogP3.42
Rot. Bonds6

About (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide

(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide (PubChem CID 110026098) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide
PubChem CID110026098
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide
SMILESCC/C(C)=C(/C)C(=O)NC(C)CC(O)c1cccs1
InChIInChI=1S/C15H23NO2S/c1-5-10(2)12(4)15(18)16-11(3)9-13(17)14-7-6-8-19-14/h6-8,11,13,17H,5,9H2,1-4H3,(H,16,18)/b12-10-
InChIKeyJQQDPUNHXKWWJN-BENRWUELSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)benzamide
CID 71910995
1-(3-benzoylphenyl)-3-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]urea
CID 99596184
3-hydroxy-N-[(2S,4R)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4-nitrobenzamide
CID 124597022
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)acetamide
CID 110028148
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
CID 170829439
N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124574775
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
(1S,3S)-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-thiophen-2-ylbutan-1-ol
CID 99702550
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide?
The IUPAC name of (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide (CID 110026098) is (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide.
What is the SMILES notation for (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide?
The canonical SMILES for (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide is CC/C(C)=C(/C)C(=O)NC(C)CC(O)c1cccs1.
What is the InChIKey of (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide?
The InChIKey is JQQDPUNHXKWWJN-BENRWUELSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-5-10(2)12(4)15(18)16-11(3)9-13(17)14-7-6-8-19-14/h6-8,11,13,17H,5,9H2,1-4H3,(H,16,18)/b12-10-.
What are the key properties of (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide?
(Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide has a molecular weight of 281.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-hydroxy-4-thiophen-2-ylbutan-2-yl)-2,3-dimethylpent-2-enamide is sourced from PubChem (CID 110026098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).