N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C19H22N2O4S — CID 2937052

IUPACN-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-5-11-17(12-6-14)26(23,24)21-13-3-4-18(21)19(22)20-15-7-9-16(25-2)10-8-15/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyJKYGWAOMHTWBPQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.80
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2937052) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2937052
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-5-11-17(12-6-14)26(23,24)21-13-3-4-18(21)19(22)20-15-7-9-16(25-2)10-8-15/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyJKYGWAOMHTWBPQ-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 2937052) is N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JKYGWAOMHTWBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-5-11-17(12-6-14)26(23,24)21-13-3-4-18(21)19(22)20-15-7-9-16(25-2)10-8-15/h5-12,18H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2937052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).