N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide

C9H13NO4S — CID 123117257

IUPACN-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide
SMILESO=C(CS(=O)CCO)NCc1ccco1
InChIInChI=1S/C9H13NO4S/c11-3-5-15(13)7-9(12)10-6-8-2-1-4-14-8/h1-2,4,11H,3,5-7H2,(H,10,12)
InChIKeyPGPKJKDPUPNMAR-UHFFFAOYSA-N
MW231.27 g/mol
LogP-0.36
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide

N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide (PubChem CID 123117257) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide
PubChem CID123117257
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC NameN-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide
SMILESO=C(CS(=O)CCO)NCc1ccco1
InChIInChI=1S/C9H13NO4S/c11-3-5-15(13)7-9(12)10-6-8-2-1-4-14-8/h1-2,4,11H,3,5-7H2,(H,10,12)
InChIKeyPGPKJKDPUPNMAR-UHFFFAOYSA-N
XLogP-0.36
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide
CID 71815599
N-(furan-2-ylmethyl)-2-thiophen-2-ylsulfinylacetamide
CID 75430243
N-(furan-2-ylmethyl)-2-[(R)-thiophen-2-ylsulfinyl]acetamide
CID 97325274
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123109670
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
CID 95313005
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60689402
N-(furan-2-ylmethyl)-2-[(R)-[(2R,3R)-2-methyloxolan-3-yl]sulfinyl]acetamide
CID 99108035

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide (CID 123117257) is N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide is O=C(CS(=O)CCO)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide?
The InChIKey is PGPKJKDPUPNMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c11-3-5-15(13)7-9(12)10-6-8-2-1-4-14-8/h1-2,4,11H,3,5-7H2,(H,10,12).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide?
N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide has a molecular weight of 231.27 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide is sourced from PubChem (CID 123117257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).