2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

C21H24ClN3O5S — CID 30222191

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O
InChIInChI=1S/C21H24ClN3O5S/c1-30-19-9-8-16(22)12-18(19)25(31(2,28)29)14-20(26)23-13-15-5-3-6-17(11-15)24-10-4-7-21(24)27/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,23,26)
InChIKeyJGDHURPUVQHLSU-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.56
Rot. Bonds8

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (PubChem CID 30222191) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
PubChem CID30222191
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O
InChIInChI=1S/C21H24ClN3O5S/c1-30-19-9-8-16(22)12-18(19)25(31(2,28)29)14-20(26)23-13-15-5-3-6-17(11-15)24-10-4-7-21(24)27/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,23,26)
InChIKeyJGDHURPUVQHLSU-UHFFFAOYSA-N
XLogP2.56
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30222196
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30223112
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30302324
2-(3-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 43901371
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30245238
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30222894
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 43896948
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 1090676
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30222084
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 100526543
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (CID 30222191) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)NCc1cccc(N2CCCC2=O)c1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is JGDHURPUVQHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-30-19-9-8-16(22)12-18(19)25(31(2,28)29)14-20(26)23-13-15-5-3-6-17(11-15)24-10-4-7-21(24)27/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 465.96 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 30222191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).