4-(1-benzothiophen-3-yl)but-3-ynamide

C12H9NOS — CID 170473170

IUPAC4-(1-benzothiophen-3-yl)but-3-ynamide
SMILESNC(=O)CC#Cc1csc2ccccc12
InChIInChI=1S/C12H9NOS/c13-12(14)7-3-4-9-8-15-11-6-2-1-5-10(9)11/h1-2,5-6,8H,7H2,(H2,13,14)
InChIKeyCTULKGSXUUGTIB-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.13
Rot. Bonds1

About 4-(1-benzothiophen-3-yl)but-3-ynamide

4-(1-benzothiophen-3-yl)but-3-ynamide (PubChem CID 170473170) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)but-3-ynamide.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)but-3-ynamide
PubChem CID170473170
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name4-(1-benzothiophen-3-yl)but-3-ynamide
SMILESNC(=O)CC#Cc1csc2ccccc12
InChIInChI=1S/C12H9NOS/c13-12(14)7-3-4-9-8-15-11-6-2-1-5-10(9)11/h1-2,5-6,8H,7H2,(H2,13,14)
InChIKeyCTULKGSXUUGTIB-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.13
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-phenanthren-9-ylbut-3-ynamide
CID 170474048
4-(1-benzothiophen-2-yl)but-3-ynamide
CID 170473168
4-(1-benzothiophen-3-yl)-3,4-dihydroxybutanamide
CID 171899320
2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
CID 61328580
1-benzothiophen-3-yl hydrogen carbonate
CID 69337463
ethyl 1-benzothiophene-3-carboxylate
CID 898679
4-(1-benzothiophen-3-yl)-2,4-dioxobutanoic acid
CID 510857
1-[2-(1-benzothiophen-3-yl)ethyl]-3-(3-phenylprop-2-ynyl)urea
CID 87003268
4-(2,3,5-trichlorophenyl)but-3-ynamide
CID 170472839
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
ethyl (E)-3-(1-benzothiophen-3-yl)prop-2-enoate
CID 67918737

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)but-3-ynamide?
The IUPAC name of 4-(1-benzothiophen-3-yl)but-3-ynamide (CID 170473170) is 4-(1-benzothiophen-3-yl)but-3-ynamide.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)but-3-ynamide?
The canonical SMILES for 4-(1-benzothiophen-3-yl)but-3-ynamide is NC(=O)CC#Cc1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-yl)but-3-ynamide?
The InChIKey is CTULKGSXUUGTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c13-12(14)7-3-4-9-8-15-11-6-2-1-5-10(9)11/h1-2,5-6,8H,7H2,(H2,13,14).
What are the key properties of 4-(1-benzothiophen-3-yl)but-3-ynamide?
4-(1-benzothiophen-3-yl)but-3-ynamide has a molecular weight of 215.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)but-3-ynamide is sourced from PubChem (CID 170473170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).