5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide

C14H19NO2S — CID 79696540

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1csc(C#CCO)c1
InChIInChI=1S/C14H19NO2S/c1-10(2)11(3)15(4)14(17)12-8-13(18-9-12)6-5-7-16/h8-11,16H,7H2,1-4H3
InChIKeyYHCHMEBWAMLHMM-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.21
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 79696540) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID79696540
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1csc(C#CCO)c1
InChIInChI=1S/C14H19NO2S/c1-10(2)11(3)15(4)14(17)12-8-13(18-9-12)6-5-7-16/h8-11,16H,7H2,1-4H3
InChIKeyYHCHMEBWAMLHMM-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 115999918
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 79690255
5-bromo-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 107963911
N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695876
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696423
methyl 4-[[5-(3-hydroxyprop-1-ynyl)thiophene-3-carbonyl]-methylamino]butanoate
CID 79696701
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79694004
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide
CID 79695971
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-2-methoxy-N-methylpropanamide
CID 113374799
N-heptan-2-yl-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696487
5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
CID 79696521
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide (CID 79696540) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide is CC(C)C(C)N(C)C(=O)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is YHCHMEBWAMLHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(2)11(3)15(4)14(17)12-8-13(18-9-12)6-5-7-16/h8-11,16H,7H2,1-4H3.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79696540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).