N-propylthiophene-2-carboxamide

C8H11NOS — CID 3313121

IUPACN-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c1-2-5-9-8(10)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10)
InChIKeyZJJYCXCPUAOXFI-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.89
Rot. Bonds3

About N-propylthiophene-2-carboxamide

N-propylthiophene-2-carboxamide (PubChem CID 3313121) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-propylthiophene-2-carboxamide
PubChem CID3313121
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c1-2-5-9-8(10)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10)
InChIKeyZJJYCXCPUAOXFI-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propylthiophene-2-carboxamide?
The IUPAC name of N-propylthiophene-2-carboxamide (CID 3313121) is N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-propylthiophene-2-carboxamide?
The canonical SMILES for N-propylthiophene-2-carboxamide is CCCNC(=O)c1cccs1.
What is the InChIKey of N-propylthiophene-2-carboxamide?
The InChIKey is ZJJYCXCPUAOXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-5-9-8(10)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10).
What are the key properties of N-propylthiophene-2-carboxamide?
N-propylthiophene-2-carboxamide has a molecular weight of 169.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylthiophene-2-carboxamide is sourced from PubChem (CID 3313121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).