2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide

C13H20N2O2S2 — CID 56822561

IUPAC2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)CC(NC(=O)CSCC(N)=O)c1cccs1
InChIInChI=1S/C13H20N2O2S2/c1-9(2)6-10(11-4-3-5-19-11)15-13(17)8-18-7-12(14)16/h3-5,9-10H,6-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyLUZCZGZGOAUANI-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.17
Rot. Bonds8

About 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide

2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 56822561) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID56822561
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)CC(NC(=O)CSCC(N)=O)c1cccs1
InChIInChI=1S/C13H20N2O2S2/c1-9(2)6-10(11-4-3-5-19-11)15-13(17)8-18-7-12(14)16/h3-5,9-10H,6-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyLUZCZGZGOAUANI-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide (CID 56822561) is 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide is CC(C)CC(NC(=O)CSCC(N)=O)c1cccs1.
What is the InChIKey of 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is LUZCZGZGOAUANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-9(2)6-10(11-4-3-5-19-11)15-13(17)8-18-7-12(14)16/h3-5,9-10H,6-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 300.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-1-thiophen-2-ylbutyl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 56822561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).