5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide

C12H15NO2S — CID 79982122

IUPAC5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cc(C)c(C#CCO)s1
InChIInChI=1S/C12H15NO2S/c1-3-6-13-12(15)11-8-9(2)10(16-11)5-4-7-14/h8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyWUSZOLKGDYYEGN-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.54
Rot. Bonds3

About 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide (PubChem CID 79982122) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide
PubChem CID79982122
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cc(C)c(C#CCO)s1
InChIInChI=1S/C12H15NO2S/c1-3-6-13-12(15)11-8-9(2)10(16-11)5-4-7-14/h8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyWUSZOLKGDYYEGN-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 79981758
N-(5-amino-5-oxopentyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106240566
N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79982217
N-butyl-5-(4-hydroxybut-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79981172
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115521791
N-(2,2-difluoroethyl)-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 113303985
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 79990358
N-[2-(dimethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79981469
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106042012
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide
CID 79977680
ethyl 2-[[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]amino]propanoate
CID 79981948
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 79977534

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide (CID 79982122) is 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide is CCCNC(=O)c1cc(C)c(C#CCO)s1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is WUSZOLKGDYYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-6-13-12(15)11-8-9(2)10(16-11)5-4-7-14/h8,14H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 237.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 79982122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).