2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide

C9H11ClN2O2S — CID 62050605

IUPAC2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H11ClN2O2S/c1-12(5-9(11)14)4-6(13)7-2-3-8(10)15-7/h2-3H,4-5H2,1H3,(H2,11,14)
InChIKeyKUVDIRDJVIPZIS-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.00
Rot. Bonds5

About 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide

2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide (PubChem CID 62050605) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
PubChem CID62050605
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H11ClN2O2S/c1-12(5-9(11)14)4-6(13)7-2-3-8(10)15-7/h2-3H,4-5H2,1H3,(H2,11,14)
InChIKeyKUVDIRDJVIPZIS-UHFFFAOYSA-N
XLogP1.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide (CID 62050605) is 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide is CN(CC(N)=O)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is KUVDIRDJVIPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-12(5-9(11)14)4-6(13)7-2-3-8(10)15-7/h2-3H,4-5H2,1H3,(H2,11,14).
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide?
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 246.72 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 62050605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).