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

C20H24N2O3S — CID 17406089

IUPACN-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-16-7-4-5-8-18(16)21-20(23)19-9-6-14-22(19)26(24,25)17-12-10-15(2)11-13-17/h4-5,7-8,10-13,19H,3,6,9,14H2,1-2H3,(H,21,23)
InChIKeyCUTRJWFLVPSBSD-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.35
Rot. Bonds5

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

N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 17406089) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID17406089
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-16-7-4-5-8-18(16)21-20(23)19-9-6-14-22(19)26(24,25)17-12-10-15(2)11-13-17/h4-5,7-8,10-13,19H,3,6,9,14H2,1-2H3,(H,21,23)
InChIKeyCUTRJWFLVPSBSD-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 17406089) is N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is CCc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is CUTRJWFLVPSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-16-7-4-5-8-18(16)21-20(23)19-9-6-14-22(19)26(24,25)17-12-10-15(2)11-13-17/h4-5,7-8,10-13,19H,3,6,9,14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 17406089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).