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

C13H19NO4S — CID 60740141

IUPAC3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO4S/c1-2-14(9-10-15)13(16)8-11-19(17,18)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKeyLUFQAXFHEZCQFT-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.69
Rot. Bonds7

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

3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide (PubChem CID 60740141) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
PubChem CID60740141
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO4S/c1-2-14(9-10-15)13(16)8-11-19(17,18)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKeyLUFQAXFHEZCQFT-UHFFFAOYSA-N
XLogP0.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-butyl-N-methylpropanamide
CID 110294976
N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
CID 78782531
2-[3-(benzenesulfonyl)propanoyl-methylamino]propanoic acid
CID 62627813
3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
CID 90483046
2-anilino-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60945484
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 78855760
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416392
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3-(benzenesulfonyl)-N-methylpropanamide
CID 134714538
(E)-3-[2-(benzenesulfonyl)ethyl]pent-3-en-2-one
CID 10868785

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide (CID 60740141) is 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is LUFQAXFHEZCQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-14(9-10-15)13(16)8-11-19(17,18)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 285.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 60740141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).