3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide

C15H17NO4S2 — CID 90500079

IUPAC3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC(O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c17-13(14-7-4-9-21-14)11-16-15(18)8-10-22(19,20)12-5-2-1-3-6-12/h1-7,9,13,17H,8,10-11H2,(H,16,18)
InChIKeyLJWNMZVQAMWFNB-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.76
Rot. Bonds7

About 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide

3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide (PubChem CID 90500079) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide
PubChem CID90500079
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC(O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c17-13(14-7-4-9-21-14)11-16-15(18)8-10-22(19,20)12-5-2-1-3-6-12/h1-7,9,13,17H,8,10-11H2,(H,16,18)
InChIKeyLJWNMZVQAMWFNB-UHFFFAOYSA-N
XLogP1.76
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
CID 94830635
3-(benzenesulfonyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]propanamide
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3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
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methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
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2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
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N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456
3-(benzenesulfonyl)-N-benzhydrylpropanamide
CID 17310061
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
3-(benzenesulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110310602
3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
CID 3163450
2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
CID 60898378

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide (CID 90500079) is 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCC(O)c1cccs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide?
The InChIKey is LJWNMZVQAMWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c17-13(14-7-4-9-21-14)11-16-15(18)8-10-22(19,20)12-5-2-1-3-6-12/h1-7,9,13,17H,8,10-11H2,(H,16,18).
What are the key properties of 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide?
3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 90500079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).