N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C16H24N2O3S — CID 51240454

IUPACN-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2O3S/c1-4-10-22(20,21)18-9-5-6-15(18)16(19)17-14-8-7-12(2)13(3)11-14/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeySVQDHVWHDZSTSR-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.45
Rot. Bonds5

About N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51240454) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID51240454
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2O3S/c1-4-10-22(20,21)18-9-5-6-15(18)16(19)17-14-8-7-12(2)13(3)11-14/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeySVQDHVWHDZSTSR-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-chloro-4-methylphenyl)-1-propylsulfonylpyrrolidine-2-carbohydrazide
CID 45353186
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935
N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
N-(2,3-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240453
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
1-propylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-2-carboxamide
CID 55515725

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 51240454) is N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SVQDHVWHDZSTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-10-22(20,21)18-9-5-6-15(18)16(19)17-14-8-7-12(2)13(3)11-14/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51240454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).