2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide

C10H15NO4S — CID 79683092

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCC(O)CO)NCc1ccco1
InChIInChI=1S/C10H15NO4S/c12-5-8(13)6-16-7-10(14)11-4-9-2-1-3-15-9/h1-3,8,12-13H,4-7H2,(H,11,14)
InChIKeyJHBXNKBERTVLKJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.02
Rot. Bonds7

About 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide

2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 79683092) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID79683092
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCC(O)CO)NCc1ccco1
InChIInChI=1S/C10H15NO4S/c12-5-8(13)6-16-7-10(14)11-4-9-2-1-3-15-9/h1-3,8,12-13H,4-7H2,(H,11,14)
InChIKeyJHBXNKBERTVLKJ-UHFFFAOYSA-N
XLogP-0.02
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537321
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
2-(azetidin-3-ylmethylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 66288226
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide (CID 79683092) is 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide is O=C(CSCC(O)CO)NCc1ccco1.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JHBXNKBERTVLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-5-8(13)6-16-7-10(14)11-4-9-2-1-3-15-9/h1-3,8,12-13H,4-7H2,(H,11,14).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 245.30 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 79683092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).