N-prop-2-ynylthiophene-3-carboxamide

C8H7NOS — CID 60656784

IUPACN-prop-2-ynylthiophene-3-carboxamide
SMILESC#CCNC(=O)c1ccsc1
InChIInChI=1S/C8H7NOS/c1-2-4-9-8(10)7-3-5-11-6-7/h1,3,5-6H,4H2,(H,9,10)
InChIKeyPYVTWSNLELIQAB-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.11
Rot. Bonds2

About N-prop-2-ynylthiophene-3-carboxamide

N-prop-2-ynylthiophene-3-carboxamide (PubChem CID 60656784) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is N-prop-2-ynylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynylthiophene-3-carboxamide
PubChem CID60656784
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC NameN-prop-2-ynylthiophene-3-carboxamide
SMILESC#CCNC(=O)c1ccsc1
InChIInChI=1S/C8H7NOS/c1-2-4-9-8(10)7-3-5-11-6-7/h1,3,5-6H,4H2,(H,9,10)
InChIKeyPYVTWSNLELIQAB-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylthiophene-3-carboxamide?
The IUPAC name of N-prop-2-ynylthiophene-3-carboxamide (CID 60656784) is N-prop-2-ynylthiophene-3-carboxamide.
What is the SMILES notation for N-prop-2-ynylthiophene-3-carboxamide?
The canonical SMILES for N-prop-2-ynylthiophene-3-carboxamide is C#CCNC(=O)c1ccsc1.
What is the InChIKey of N-prop-2-ynylthiophene-3-carboxamide?
The InChIKey is PYVTWSNLELIQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-2-4-9-8(10)7-3-5-11-6-7/h1,3,5-6H,4H2,(H,9,10).
What are the key properties of N-prop-2-ynylthiophene-3-carboxamide?
N-prop-2-ynylthiophene-3-carboxamide has a molecular weight of 165.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylthiophene-3-carboxamide is sourced from PubChem (CID 60656784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).