2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide

C10H13ClN2O2S2 — CID 47030939

IUPAC2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCC(NC(=O)CSCC(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2O2S2/c1-6(7-2-3-8(11)17-7)13-10(15)5-16-4-9(12)14/h2-3,6H,4-5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyLJGCXFMLLFAVLL-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.80
Rot. Bonds6

About 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide

2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 47030939) has the molecular formula C10H13ClN2O2S2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID47030939
Molecular FormulaC10H13ClN2O2S2
Molecular Weight292.81 g/mol
Exact Mass292.01
IUPAC Name2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCC(NC(=O)CSCC(N)=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2O2S2/c1-6(7-2-3-8(11)17-7)13-10(15)5-16-4-9(12)14/h2-3,6H,4-5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyLJGCXFMLLFAVLL-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide (CID 47030939) is 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide is CC(NC(=O)CSCC(N)=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is LJGCXFMLLFAVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S2/c1-6(7-2-3-8(11)17-7)13-10(15)5-16-4-9(12)14/h2-3,6H,4-5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide?
2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 292.81 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 47030939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).