N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide

C7H9ClN2OS — CID 83532442

IUPACN-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C7H9ClN2OS/c1-9-4-6(11)10-7-3-2-5(8)12-7/h2-3,9H,4H2,1H3,(H,10,11)
InChIKeyUDMZZKUAKUAWAY-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.56
Rot. Bonds3

About N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide

N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide (PubChem CID 83532442) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide
PubChem CID83532442
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC NameN-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C7H9ClN2OS/c1-9-4-6(11)10-7-3-2-5(8)12-7/h2-3,9H,4H2,1H3,(H,10,11)
InChIKeyUDMZZKUAKUAWAY-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide (CID 83532442) is N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide?
The InChIKey is UDMZZKUAKUAWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-9-4-6(11)10-7-3-2-5(8)12-7/h2-3,9H,4H2,1H3,(H,10,11).
What are the key properties of N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide?
N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide has a molecular weight of 204.68 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 83532442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).