3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide

C14H19NO2S — CID 63797666

IUPAC3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide
SMILESCCC(C)CNC(=O)c1sccc1C#CCCO
InChIInChI=1S/C14H19NO2S/c1-3-11(2)10-15-14(17)13-12(7-9-18-13)6-4-5-8-16/h7,9,11,16H,3,5,8,10H2,1-2H3,(H,15,17)
InChIKeyZTXPNZGMYDIVDN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide

3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide (PubChem CID 63797666) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide
PubChem CID63797666
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide
SMILESCCC(C)CNC(=O)c1sccc1C#CCCO
InChIInChI=1S/C14H19NO2S/c1-3-11(2)10-15-14(17)13-12(7-9-18-13)6-4-5-8-16/h7,9,11,16H,3,5,8,10H2,1-2H3,(H,15,17)
InChIKeyZTXPNZGMYDIVDN-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.26
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

3-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63797586
3-(4-hydroxybut-1-ynyl)-N-(4-methylpentyl)thiophene-2-carboxamide
CID 63797508
N-[2-(dimethylamino)propyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63796281
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106346941
3-(4-hydroxybut-1-ynyl)-N-[(1-methylcyclopropyl)methyl]thiophene-2-carboxamide
CID 114101672
3-(4-hydroxybut-1-ynyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-carboxamide
CID 79360345
3-(4-hydroxybut-1-ynyl)-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 63796920
N-[4-(dimethylamino)butyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63796452
N-(1-cyclopropylbutan-2-yl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63995980
N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106342103
3-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-2-ylthiophene-2-carboxamide
CID 55239731
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 106304018

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide (CID 63797666) is 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide is CCC(C)CNC(=O)c1sccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide?
The InChIKey is ZTXPNZGMYDIVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-11(2)10-15-14(17)13-12(7-9-18-13)6-4-5-8-16/h7,9,11,16H,3,5,8,10H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(2-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 63797666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).