2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide

C9H13ClN2OS — CID 51223917

IUPAC2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-2-12(6-9(11)13)5-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H2,11,13)
InChIKeySYISXJDCMMHUMT-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.71
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide (PubChem CID 51223917) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide
PubChem CID51223917
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-2-12(6-9(11)13)5-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H2,11,13)
InChIKeySYISXJDCMMHUMT-UHFFFAOYSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide (CID 51223917) is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide is CCN(CC(N)=O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide?
The InChIKey is SYISXJDCMMHUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-2-12(6-9(11)13)5-7-3-4-8(10)14-7/h3-4H,2,5-6H2,1H3,(H2,11,13).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide?
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide has a molecular weight of 232.74 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetamide is sourced from PubChem (CID 51223917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).