2-chloro-N-methoxy-4-methylthiophene-3-carboxamide

C7H8ClNO2S — CID 126990720

IUPAC2-chloro-N-methoxy-4-methylthiophene-3-carboxamide
SMILESCONC(=O)c1c(C)csc1Cl
InChIInChI=1S/C7H8ClNO2S/c1-4-3-12-6(8)5(4)7(10)9-11-2/h3H,1-2H3,(H,9,10)
InChIKeyQCPCCUGPJRFSGF-UHFFFAOYSA-N
MW205.67 g/mol
LogP2.00
Rot. Bonds2

About 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide

2-chloro-N-methoxy-4-methylthiophene-3-carboxamide (PubChem CID 126990720) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methoxy-4-methylthiophene-3-carboxamide
PubChem CID126990720
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name2-chloro-N-methoxy-4-methylthiophene-3-carboxamide
SMILESCONC(=O)c1c(C)csc1Cl
InChIInChI=1S/C7H8ClNO2S/c1-4-3-12-6(8)5(4)7(10)9-11-2/h3H,1-2H3,(H,9,10)
InChIKeyQCPCCUGPJRFSGF-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide (CID 126990720) is 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide is CONC(=O)c1c(C)csc1Cl.
What is the InChIKey of 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide?
The InChIKey is QCPCCUGPJRFSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-4-3-12-6(8)5(4)7(10)9-11-2/h3H,1-2H3,(H,9,10).
What are the key properties of 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide?
2-chloro-N-methoxy-4-methylthiophene-3-carboxamide has a molecular weight of 205.67 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 126990720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).