(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide

C17H22N2O4S — CID 118765159

IUPAC(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)N3CCC[C@@H]3C(N)=O)CCC2)cc1
InChIInChI=1S/C17H22N2O4S/c1-24(22,23)13-7-5-12(6-8-13)17(9-3-10-17)16(21)19-11-2-4-14(19)15(18)20/h5-8,14H,2-4,9-11H2,1H3,(H2,18,20)/t14-/m1/s1
InChIKeyVSUQUYWMMSZYOU-CQSZACIVSA-N
MW350.44 g/mol
LogP0.99
Rot. Bonds4

About (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide

(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide (PubChem CID 118765159) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide
PubChem CID118765159
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(C(=O)N3CCC[C@@H]3C(N)=O)CCC2)cc1
InChIInChI=1S/C17H22N2O4S/c1-24(22,23)13-7-5-12(6-8-13)17(9-3-10-17)16(21)19-11-2-4-14(19)15(18)20/h5-8,14H,2-4,9-11H2,1H3,(H2,18,20)/t14-/m1/s1
InChIKeyVSUQUYWMMSZYOU-CQSZACIVSA-N
XLogP0.99
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
CID 118772011
[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone
CID 91793765
[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 118796209
[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-[1-(4-methylsulfonylphenyl)cyclobutyl]methanone
CID 72855028
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
CID 118788762
(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 103930599
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methylsulfonylphenyl)cyclohexyl]methanone
CID 155505570
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide (CID 118765159) is (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide is CS(=O)(=O)c1ccc(C2(C(=O)N3CCC[C@@H]3C(N)=O)CCC2)cc1.
What is the InChIKey of (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide?
The InChIKey is VSUQUYWMMSZYOU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-24(22,23)13-7-5-12(6-8-13)17(9-3-10-17)16(21)19-11-2-4-14(19)15(18)20/h5-8,14H,2-4,9-11H2,1H3,(H2,18,20)/t14-/m1/s1.
What are the key properties of (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide?
(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118765159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).