4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide

C13H19NOS — CID 174444855

IUPAC4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide
SMILESCC(C)C(C(N)=O)=C(c1ccsc1)C(C)C
InChIInChI=1S/C13H19NOS/c1-8(2)11(10-5-6-16-7-10)12(9(3)4)13(14)15/h5-9H,1-4H3,(H2,14,15)
InChIKeyUODYPGMAQKJQTJ-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.30
Rot. Bonds4

About 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide

4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide (PubChem CID 174444855) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide
PubChem CID174444855
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide
SMILESCC(C)C(C(N)=O)=C(c1ccsc1)C(C)C
InChIInChI=1S/C13H19NOS/c1-8(2)11(10-5-6-16-7-10)12(9(3)4)13(14)15/h5-9H,1-4H3,(H2,14,15)
InChIKeyUODYPGMAQKJQTJ-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide
CID 175006765
3-propan-2-yl-4-thiophen-3-ylpent-3-en-2-one
CID 123751253
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
2-(thiophene-3-carbonyl)butanamide
CID 90985419
(4-amino-4-oxobutyl) thiophene-3-carboxylate
CID 71974804
methyl thiophene-3-carboxylate;N'-propan-2-ylthiophene-3-carbohydrazide;thiophene-3-carbohydrazide
CID 158983100
[(1S)-1-(3,5-dichlorophenyl)-2-methoxy-2-oxoethyl] thiophene-3-carboxylate
CID 96999053
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096
3,5,5-trimethyl-1-thiophen-3-ylhexan-1-one
CID 114975180

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide?
The IUPAC name of 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide (CID 174444855) is 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide?
The canonical SMILES for 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide is CC(C)C(C(N)=O)=C(c1ccsc1)C(C)C.
What is the InChIKey of 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide?
The InChIKey is UODYPGMAQKJQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-8(2)11(10-5-6-16-7-10)12(9(3)4)13(14)15/h5-9H,1-4H3,(H2,14,15).
What are the key properties of 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide?
4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide has a molecular weight of 237.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide is sourced from PubChem (CID 174444855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).