N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide

C15H22N2O5S — CID 110342568

IUPACN-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)N2CCCC2)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-6-5-12(11-14(13)22-2)16-15(18)7-10-23(19,20)17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyRLDZNBQMRMKVIL-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.46
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide

N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide (PubChem CID 110342568) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
PubChem CID110342568
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)N2CCCC2)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-6-5-12(11-14(13)22-2)16-15(18)7-10-23(19,20)17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)
InChIKeyRLDZNBQMRMKVIL-UHFFFAOYSA-N
XLogP1.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylpropanamide
CID 110342661
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342560
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(3,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1306204

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide (CID 110342568) is N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide is COc1ccc(NC(=O)CCS(=O)(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
The InChIKey is RLDZNBQMRMKVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-13-6-5-12(11-14(13)22-2)16-15(18)7-10-23(19,20)17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide?
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide has a molecular weight of 342.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide is sourced from PubChem (CID 110342568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).