2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide

C12H19N3O3S — CID 66229322

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCC(CCN)SCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C12H19N3O3S/c1-9(4-5-13)19-8-11(16)15-12(17)14-7-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8,13H2,1H3,(H2,14,15,16,17)
InChIKeySLKTZPBBBNZLJV-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.08
Rot. Bonds7

About 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 66229322) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID66229322
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCC(CCN)SCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C12H19N3O3S/c1-9(4-5-13)19-8-11(16)15-12(17)14-7-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8,13H2,1H3,(H2,14,15,16,17)
InChIKeySLKTZPBBBNZLJV-UHFFFAOYSA-N
XLogP1.08
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
CID 8919816
N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468533
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9046359
N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537321
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62637062
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66289917
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 66229322) is 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide is CC(CCN)SCC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is SLKTZPBBBNZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(4-5-13)19-8-11(16)15-12(17)14-7-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 66229322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).