N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C15H22N2O4S — CID 51240451

IUPACN-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H22N2O4S/c1-3-10-22(19,20)17-9-5-8-14(17)15(18)16-12-6-4-7-13(11-12)21-2/h4,6-7,11,14H,3,5,8-10H2,1-2H3,(H,16,18)
InChIKeyHBWFRCYGCWRZRE-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.84
Rot. Bonds6

About N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51240451) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID51240451
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H22N2O4S/c1-3-10-22(19,20)17-9-5-8-14(17)15(18)16-12-6-4-7-13(11-12)21-2/h4,6-7,11,14H,3,5,8-10H2,1-2H3,(H,16,18)
InChIKeyHBWFRCYGCWRZRE-UHFFFAOYSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 56507308
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
N-[3-(5-methyltetrazol-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55679425
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 40797674
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 51240451) is N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is HBWFRCYGCWRZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-10-22(19,20)17-9-5-8-14(17)15(18)16-12-6-4-7-13(11-12)21-2/h4,6-7,11,14H,3,5,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51240451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).