2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

C22H26ClN3O5S — CID 30222196

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(C)(=O)=O
InChIInChI=1S/C22H26ClN3O5S/c1-31-20-10-9-18(23)12-19(20)26(32(2,29)30)15-21(27)24-13-16-5-7-17(8-6-16)14-25-11-3-4-22(25)28/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,24,27)
InChIKeyQFIZCXHRDPWKDW-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.55
Rot. Bonds9

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 30222196) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID30222196
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(C)(=O)=O
InChIInChI=1S/C22H26ClN3O5S/c1-31-20-10-9-18(23)12-19(20)26(32(2,29)30)15-21(27)24-13-16-5-7-17(8-6-16)14-25-11-3-4-22(25)28/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,24,27)
InChIKeyQFIZCXHRDPWKDW-UHFFFAOYSA-N
XLogP2.55
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 30222191
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30222894
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30218577
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 43894476
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30223117
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30225013
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30243207
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 1090676
2-(4-fluoro-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30221989
2-(4-bromo-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30220004
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30222084

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (CID 30222196) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is QFIZCXHRDPWKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-31-20-10-9-18(23)12-19(20)26(32(2,29)30)15-21(27)24-13-16-5-7-17(8-6-16)14-25-11-3-4-22(25)28/h5-10,12H,3-4,11,13-15H2,1-2H3,(H,24,27).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 479.99 g/mol, XLogP of 2.55, 9 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-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 30222196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).