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

C13H20N2O2S2 — CID 95596104

IUPAC2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)C[C@@H](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)/t10-/m1/s1
InChIKeyLUZCZGZGOAUANI-SNVBAGLBSA-N
MW300.45 g/mol
LogP2.17
Rot. Bonds8

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

2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 95596104) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
PubChem CID95596104
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)C[C@@H](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)/t10-/m1/s1
InChIKeyLUZCZGZGOAUANI-SNVBAGLBSA-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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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide
CID 94800688
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
methyl (3S)-3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-thiophen-2-ylpropanoate
CID 30829913
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 94814587
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 86834346
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide
CID 51966867
1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide
CID 95295495
5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55977452
2-(2-aminobutylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 66228221

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide (CID 95596104) is 2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide is CC(C)C[C@@H](NC(=O)CSCC(N)=O)c1cccs1.
What is the InChIKey of 2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is LUZCZGZGOAUANI-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of 2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[[(1R)-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-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 95596104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).