2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide

C15H17NO3S — CID 95986621

IUPAC2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
SMILESO=C(CSCc1ccccc1)NC[C@H](O)c1ccoc1
InChIInChI=1S/C15H17NO3S/c17-14(13-6-7-19-9-13)8-16-15(18)11-20-10-12-4-2-1-3-5-12/h1-7,9,14,17H,8,10-11H2,(H,16,18)/t14-/m0/s1
InChIKeyHDCFIACRDMSLRA-AWEZNQCLSA-N
MW291.37 g/mol
LogP2.36
Rot. Bonds7

About 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide

2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide (PubChem CID 95986621) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
PubChem CID95986621
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
SMILESO=C(CSCc1ccccc1)NC[C@H](O)c1ccoc1
InChIInChI=1S/C15H17NO3S/c17-14(13-6-7-19-9-13)8-16-15(18)11-20-10-12-4-2-1-3-5-12/h1-7,9,14,17H,8,10-11H2,(H,16,18)/t14-/m0/s1
InChIKeyHDCFIACRDMSLRA-AWEZNQCLSA-N
XLogP2.36
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986654
N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986653
2-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569219
3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
CID 97040675
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-benzylsulfanyl-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]acetamide
CID 97042474
2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986560
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
CID 99873167
2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725476
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide (CID 95986621) is 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide is O=C(CSCc1ccccc1)NC[C@H](O)c1ccoc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The InChIKey is HDCFIACRDMSLRA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-14(13-6-7-19-9-13)8-16-15(18)11-20-10-12-4-2-1-3-5-12/h1-7,9,14,17H,8,10-11H2,(H,16,18)/t14-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide has a molecular weight of 291.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 95986621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).