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

C17H27NO5S — CID 110416390

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO5S/c1-5-10-18(11-6-2)17(19)9-12-24(20,21)14-7-8-15(22-3)16(13-14)23-4/h7-8,13H,5-6,9-12H2,1-4H3
InChIKeyUQRCSYPLKPTWKJ-UHFFFAOYSA-N
MW357.47 g/mol
LogP2.52
Rot. Bonds10

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

3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide (PubChem CID 110416390) has the molecular formula C17H27NO5S and a molecular weight of 357.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
PubChem CID110416390
Molecular FormulaC17H27NO5S
Molecular Weight357.47 g/mol
Exact Mass357.16
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO5S/c1-5-10-18(11-6-2)17(19)9-12-24(20,21)14-7-8-15(22-3)16(13-14)23-4/h7-8,13H,5-6,9-12H2,1-4H3
InChIKeyUQRCSYPLKPTWKJ-UHFFFAOYSA-N
XLogP2.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
CID 110414798
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237
3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416392
N-tert-butyl-3-(3,4-dimethoxyphenyl)sulfonylpropanamide
CID 110415267
3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 110422910
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113144970
3-(3,4-dimethoxyphenyl)sulfonyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 110408454
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)propanamide
CID 110417830
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418653

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide (CID 110416390) is 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide?
The InChIKey is UQRCSYPLKPTWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5S/c1-5-10-18(11-6-2)17(19)9-12-24(20,21)14-7-8-15(22-3)16(13-14)23-4/h7-8,13H,5-6,9-12H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide?
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-dipropylpropanamide has a molecular weight of 357.47 g/mol, XLogP of 2.52, 10 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-dipropylpropanamide is sourced from PubChem (CID 110416390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).