3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride

C15H25ClN2O3S — CID 90483049

IUPAC3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
SMILESCCN(CC)CCNC(=O)CCS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-3-17(4-2)12-11-16-15(18)10-13-21(19,20)14-8-6-5-7-9-14;/h5-9H,3-4,10-13H2,1-2H3,(H,16,18);1H
InChIKeyREDHKAHQRZFPDF-UHFFFAOYSA-N
MW348.90 g/mol
LogP1.73
Rot. Bonds9

About 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride

3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride (PubChem CID 90483049) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
PubChem CID90483049
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC Name3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
SMILESCCN(CC)CCNC(=O)CCS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-3-17(4-2)12-11-16-15(18)10-13-21(19,20)14-8-6-5-7-9-14;/h5-9H,3-4,10-13H2,1-2H3,(H,16,18);1H
InChIKeyREDHKAHQRZFPDF-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
CID 90483046
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
1-[2-(benzenesulfonyl)ethyl]-1,3-bis[2-(diethylamino)ethyl]urea
CID 14855265
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
1-[2-(benzenesulfonyl)ethyl]-3-[2-(diethylamino)ethyl]-1-[2-(N-methylanilino)ethyl]urea
CID 14855277
N-(2-amino-2-oxoethyl)-3-(benzenesulfonyl)propanamide
CID 9295458
N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
CID 41165153
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
3-[(3-acetylphenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]propanamide
CID 71944756
3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60740141

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride (CID 90483049) is 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride is CCN(CC)CCNC(=O)CCS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is REDHKAHQRZFPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-3-17(4-2)12-11-16-15(18)10-13-21(19,20)14-8-6-5-7-9-14;/h5-9H,3-4,10-13H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride?
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 90483049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).