1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C20H24N2O3S — CID 3154010

IUPAC1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-9-11-18(12-10-16)26(24,25)22-15-5-8-19(22)20(23)21-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,21,23)
InChIKeyOFBYEIAJSLRBFG-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.51
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 3154010) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID3154010
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-9-11-18(12-10-16)26(24,25)22-15-5-8-19(22)20(23)21-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,21,23)
InChIKeyOFBYEIAJSLRBFG-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 3154010) is 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is OFBYEIAJSLRBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-9-11-18(12-10-16)26(24,25)22-15-5-8-19(22)20(23)21-14-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,21,23).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3154010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).