3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide

C15H23NO5S — CID 110414798

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO5S/c1-5-16(6-2)15(17)9-10-22(18,19)12-7-8-13(20-3)14(11-12)21-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyMZPPFFGMDAQRLW-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.74
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide

3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide (PubChem CID 110414798) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
PubChem CID110414798
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO5S/c1-5-16(6-2)15(17)9-10-22(18,19)12-7-8-13(20-3)14(11-12)21-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyMZPPFFGMDAQRLW-UHFFFAOYSA-N
XLogP1.74
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416390
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 110422910
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
CID 110418941
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
3-(3,4-dimethoxyphenyl)sulfonyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 110408454
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
N-[3-(aminomethyl)pentan-3-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119570335
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
CID 126388487
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide (CID 110414798) is 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide is CCN(CC)C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide?
The InChIKey is MZPPFFGMDAQRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-5-16(6-2)15(17)9-10-22(18,19)12-7-8-13(20-3)14(11-12)21-4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide?
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide has a molecular weight of 329.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide is sourced from PubChem (CID 110414798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).