2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide

C20H24N2O4S — CID 86987525

IUPAC2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C2CCCN2C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-26-17-10-6-15(7-11-17)19-5-4-14-22(19)20(23)21-16-8-12-18(13-9-16)27(2,24)25/h6-13,19H,3-5,14H2,1-2H3,(H,21,23)
InChIKeyXUWUCJQHXRUXKN-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide

2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide (PubChem CID 86987525) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
PubChem CID86987525
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C2CCCN2C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-26-17-10-6-15(7-11-17)19-5-4-14-22(19)20(23)21-16-8-12-18(13-9-16)27(2,24)25/h6-13,19H,3-5,14H2,1-2H3,(H,21,23)
InChIKeyXUWUCJQHXRUXKN-UHFFFAOYSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 86986350
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551873
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide (CID 86987525) is 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide is CCOc1ccc(C2CCCN2C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is XUWUCJQHXRUXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-26-17-10-6-15(7-11-17)19-5-4-14-22(19)20(23)21-16-8-12-18(13-9-16)27(2,24)25/h6-13,19H,3-5,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide?
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86987525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).