5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide

C9H11ClN2O2S — CID 9480604

IUPAC5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H11ClN2O2S/c1-12(2)8(13)5-11-9(14)6-3-4-7(10)15-6/h3-4H,5H2,1-2H3,(H,11,14)
InChIKeyNPRREQJAPFFBLS-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.22
Rot. Bonds3

About 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide

5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9480604) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9480604
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H11ClN2O2S/c1-12(2)8(13)5-11-9(14)6-3-4-7(10)15-6/h3-4H,5H2,1-2H3,(H,11,14)
InChIKeyNPRREQJAPFFBLS-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 9480604) is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide is CN(C)C(=O)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is NPRREQJAPFFBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-12(2)8(13)5-11-9(14)6-3-4-7(10)15-6/h3-4H,5H2,1-2H3,(H,11,14).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 246.72 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9480604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).