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

C14H20N2O3S — CID 2947981

IUPACN-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-15-14(17)13-5-4-10-16(13)20(18,19)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyRZHWDFFSPNNKOY-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.28
Rot. Bonds4

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

N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2947981) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2947981
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-15-14(17)13-5-4-10-16(13)20(18,19)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyRZHWDFFSPNNKOY-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 2947981) is N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RZHWDFFSPNNKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-15-14(17)13-5-4-10-16(13)20(18,19)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2947981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).