2-chloro-N-ethylthiophene-3-carboxamide

C7H8ClNOS — CID 18630045

IUPAC2-chloro-N-ethylthiophene-3-carboxamide
SMILESCCNC(=O)c1ccsc1Cl
InChIInChI=1S/C7H8ClNOS/c1-2-9-7(10)5-3-4-11-6(5)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyGTBLUUVFSCNZEB-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.15
Rot. Bonds2

About 2-chloro-N-ethylthiophene-3-carboxamide

2-chloro-N-ethylthiophene-3-carboxamide (PubChem CID 18630045) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-chloro-N-ethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethylthiophene-3-carboxamide
PubChem CID18630045
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name2-chloro-N-ethylthiophene-3-carboxamide
SMILESCCNC(=O)c1ccsc1Cl
InChIInChI=1S/C7H8ClNOS/c1-2-9-7(10)5-3-4-11-6(5)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyGTBLUUVFSCNZEB-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylthiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-ethylthiophene-3-carboxamide (CID 18630045) is 2-chloro-N-ethylthiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-ethylthiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-ethylthiophene-3-carboxamide is CCNC(=O)c1ccsc1Cl.
What is the InChIKey of 2-chloro-N-ethylthiophene-3-carboxamide?
The InChIKey is GTBLUUVFSCNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-2-9-7(10)5-3-4-11-6(5)8/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 2-chloro-N-ethylthiophene-3-carboxamide?
2-chloro-N-ethylthiophene-3-carboxamide has a molecular weight of 189.67 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethylthiophene-3-carboxamide is sourced from PubChem (CID 18630045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).