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2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

C22H26ClN3O4S — CID 30223117

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(C)(=O)=O
InChIInChI=1S/C22H26ClN3O4S/c1-16-19(23)5-3-6-20(16)26(31(2,29)30)15-21(27)24-13-17-8-10-18(11-9-17)14-25-12-4-7-22(25)28/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,27)
InChIKeyJRASTFMJTGXXAQ-UHFFFAOYSA-N
MW463.99 g/mol
LogP2.85
Rot. Bonds8

About 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 30223117) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID30223117
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(C)(=O)=O
InChIInChI=1S/C22H26ClN3O4S/c1-16-19(23)5-3-6-20(16)26(31(2,29)30)15-21(27)24-13-17-8-10-18(11-9-17)14-25-12-4-7-22(25)28/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,27)
InChIKeyJRASTFMJTGXXAQ-UHFFFAOYSA-N
XLogP2.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (CID 30223117) is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is JRASTFMJTGXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-16-19(23)5-3-6-20(16)26(31(2,29)30)15-21(27)24-13-17-8-10-18(11-9-17)14-25-12-4-7-22(25)28/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,27).
What are the key properties of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 463.99 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 30223117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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