2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide

C12H17N3O3S — CID 66289917

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSCC1CNC1)NC(=O)NCc1ccco1
InChIInChI=1S/C12H17N3O3S/c16-11(8-19-7-9-4-13-5-9)15-12(17)14-6-10-2-1-3-18-10/h1-3,9,13H,4-8H2,(H2,14,15,16,17)
InChIKeyUYVXKAQPLQFFKW-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.56
Rot. Bonds6

About 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 66289917) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID66289917
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSCC1CNC1)NC(=O)NCc1ccco1
InChIInChI=1S/C12H17N3O3S/c16-11(8-19-7-9-4-13-5-9)15-12(17)14-6-10-2-1-3-18-10/h1-3,9,13H,4-8H2,(H2,14,15,16,17)
InChIKeyUYVXKAQPLQFFKW-UHFFFAOYSA-N
XLogP0.56
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43348702
N-(furan-2-ylmethylcarbamoyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468533
2-(azetidin-3-ylmethylsulfanyl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 66289051
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
2-[cyclopropyl(cyclopropylmethyl)amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 51108869
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
CID 117235907
2-(4-aminobutan-2-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 66229322

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 66289917) is 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CSCC1CNC1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is UYVXKAQPLQFFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-11(8-19-7-9-4-13-5-9)15-12(17)14-6-10-2-1-3-18-10/h1-3,9,13H,4-8H2,(H2,14,15,16,17).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 66289917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).