4-(2-methylthiophen-3-yl)but-3-ynamide

C9H9NOS — CID 170472416

IUPAC4-(2-methylthiophen-3-yl)but-3-ynamide
SMILESCc1sccc1C#CCC(N)=O
InChIInChI=1S/C9H9NOS/c1-7-8(5-6-12-7)3-2-4-9(10)11/h5-6H,4H2,1H3,(H2,10,11)
InChIKeyQPZIVUUOWUKMPL-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.28
Rot. Bonds1

About 4-(2-methylthiophen-3-yl)but-3-ynamide

4-(2-methylthiophen-3-yl)but-3-ynamide (PubChem CID 170472416) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-(2-methylthiophen-3-yl)but-3-ynamide.

Molecular Properties

Compound Name4-(2-methylthiophen-3-yl)but-3-ynamide
PubChem CID170472416
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name4-(2-methylthiophen-3-yl)but-3-ynamide
SMILESCc1sccc1C#CCC(N)=O
InChIInChI=1S/C9H9NOS/c1-7-8(5-6-12-7)3-2-4-9(10)11/h5-6H,4H2,1H3,(H2,10,11)
InChIKeyQPZIVUUOWUKMPL-UHFFFAOYSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dimethylphenyl)but-3-ynamide
CID 170472579
4-(3-amino-2-methylphenyl)but-3-ynamide
CID 170472767
4-(4,5-diamino-2-methylphenyl)but-3-ynamide
CID 170472996
4-(5-bromo-2-methylphenyl)but-3-ynamide
CID 170474091
4-(1-benzothiophen-3-yl)but-3-ynamide
CID 170473170
4-(2-methyl-5-nitrophenyl)but-3-ynamide
CID 170473498
4-(5-methyl-2-nitrophenyl)but-3-ynamide
CID 170474167
4-(2-chloro-3-pyridinyl)but-3-ynamide
CID 170472500
4-(6-acetamido-2-methyl-3-pyridinyl)but-3-ynamide
CID 170473668
4-(2,4-dimethoxyphenyl)but-3-ynamide
CID 170473317
4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide
CID 170473161
4-(2,4-dichlorophenyl)but-3-ynamide
CID 170472586

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthiophen-3-yl)but-3-ynamide?
The IUPAC name of 4-(2-methylthiophen-3-yl)but-3-ynamide (CID 170472416) is 4-(2-methylthiophen-3-yl)but-3-ynamide.
What is the SMILES notation for 4-(2-methylthiophen-3-yl)but-3-ynamide?
The canonical SMILES for 4-(2-methylthiophen-3-yl)but-3-ynamide is Cc1sccc1C#CCC(N)=O.
What is the InChIKey of 4-(2-methylthiophen-3-yl)but-3-ynamide?
The InChIKey is QPZIVUUOWUKMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-7-8(5-6-12-7)3-2-4-9(10)11/h5-6H,4H2,1H3,(H2,10,11).
What are the key properties of 4-(2-methylthiophen-3-yl)but-3-ynamide?
4-(2-methylthiophen-3-yl)but-3-ynamide has a molecular weight of 179.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthiophen-3-yl)but-3-ynamide is sourced from PubChem (CID 170472416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).