3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide

C15H17NO5S — CID 97040675

IUPAC3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccoc1
InChIInChI=1S/C15H17NO5S/c17-14(12-6-8-21-11-12)10-16-15(18)7-9-22(19,20)13-4-2-1-3-5-13/h1-6,8,11,14,17H,7,9-10H2,(H,16,18)/t14-/m0/s1
InChIKeyOIUTYYKNUOKRTK-AWEZNQCLSA-N
MW323.37 g/mol
LogP1.29
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide

3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide (PubChem CID 97040675) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
PubChem CID97040675
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccoc1
InChIInChI=1S/C15H17NO5S/c17-14(12-6-8-21-11-12)10-16-15(18)7-9-22(19,20)13-4-2-1-3-5-13/h1-6,8,11,14,17H,7,9-10H2,(H,16,18)/t14-/m0/s1
InChIKeyOIUTYYKNUOKRTK-AWEZNQCLSA-N
XLogP1.29
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide
CID 124727763
3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide
CID 90500079
N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986653
2-benzylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986621
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986654
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
3-(benzenesulfonyl)-N-benzhydrylpropanamide
CID 17310061
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
2-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
CID 95986560
N'-[2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 71798386
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
CID 9295458
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide (CID 97040675) is 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](O)c1ccoc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide?
The InChIKey is OIUTYYKNUOKRTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO5S/c17-14(12-6-8-21-11-12)10-16-15(18)7-9-22(19,20)13-4-2-1-3-5-13/h1-6,8,11,14,17H,7,9-10H2,(H,16,18)/t14-/m0/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide?
3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide has a molecular weight of 323.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 97040675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).