3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide

C16H19NO4S2 — CID 86264113

IUPAC3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCC(O)c1ccsc1
InChIInChI=1S/C16H19NO4S2/c18-15(13-7-10-22-12-13)6-9-17-16(19)8-11-23(20,21)14-4-2-1-3-5-14/h1-5,7,10,12,15,18H,6,8-9,11H2,(H,17,19)
InChIKeyPXGPUWBKLXCYOZ-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.15
Rot. Bonds8

About 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide

3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide (PubChem CID 86264113) has the molecular formula C16H19NO4S2 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide
PubChem CID86264113
Molecular FormulaC16H19NO4S2
Molecular Weight353.46 g/mol
Exact Mass353.08
IUPAC Name3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCC(O)c1ccsc1
InChIInChI=1S/C16H19NO4S2/c18-15(13-7-10-22-12-13)6-9-17-16(19)8-11-23(20,21)14-4-2-1-3-5-14/h1-5,7,10,12,15,18H,6,8-9,11H2,(H,17,19)
InChIKeyPXGPUWBKLXCYOZ-UHFFFAOYSA-N
XLogP2.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)acetamide
CID 52992618
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 71781696
N-[(S)-3-hydroxy-3-(2-thienyl)propyl](p-fluorophenyl)acetamide
CID 96350411
2-(benzylthio)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)acetamide
CID 71781684
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-3-(phenylthio)propanamide
CID 71787826
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 86264112
N-(3-hydroxy-3-(thiophen-3-yl)propyl)cyclohex-3-enecarboxamide
CID 86264119
(E)-N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-phenylethenesulfonamide
CID 86264126
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-2-phenylethanesulfonamide
CID 86264127
N-[(S)-2-hydroxy-2-(3-methyl-2-thienyl)ethyl]2,2-dimethylpropionamide
CID 95982626
N-[(R)-2-cyclopropyl-2-hydroxy-2-(2-thienyl)ethyl]3-(phenylsulfonyl)propionamide
CID 96349185
N-[(S)-3-hydroxy-3-phenylpropyl](2-thienyl)acetamide
CID 97038553

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide (CID 86264113) is 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCC(O)c1ccsc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide?
The InChIKey is PXGPUWBKLXCYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c18-15(13-7-10-22-12-13)6-9-17-16(19)8-11-23(20,21)14-4-2-1-3-5-14/h1-5,7,10,12,15,18H,6,8-9,11H2,(H,17,19).
What are the key properties of 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide?
3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide has a molecular weight of 353.46 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)propanamide is sourced from PubChem (CID 86264113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).