3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide

C17H25NO4S — CID 56764312

IUPAC3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC(O)C1CCCCC1
InChIInChI=1S/C17H25NO4S/c19-16(14-7-3-1-4-8-14)13-18-17(20)11-12-23(21,22)15-9-5-2-6-10-15/h2,5-6,9-10,14,16,19H,1,3-4,7-8,11-13H2,(H,18,20)
InChIKeyBKJCBIPJLDEKPT-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.91
Rot. Bonds7

About 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide

3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide (PubChem CID 56764312) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide
PubChem CID56764312
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC(O)C1CCCCC1
InChIInChI=1S/C17H25NO4S/c19-16(14-7-3-1-4-8-14)13-18-17(20)11-12-23(21,22)15-9-5-2-6-10-15/h2,5-6,9-10,14,16,19H,1,3-4,7-8,11-13H2,(H,18,20)
InChIKeyBKJCBIPJLDEKPT-UHFFFAOYSA-N
XLogP1.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide (CID 56764312) is 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCC(O)C1CCCCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide?
The InChIKey is BKJCBIPJLDEKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c19-16(14-7-3-1-4-8-14)13-18-17(20)11-12-23(21,22)15-9-5-2-6-10-15/h2,5-6,9-10,14,16,19H,1,3-4,7-8,11-13H2,(H,18,20).
What are the key properties of 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide?
3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide has a molecular weight of 339.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-cyclohexyl-2-hydroxyethyl)propanamide is sourced from PubChem (CID 56764312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).