2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

C22H26ClN3O4S — CID 100768080

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c1-31(29,30)26(15-19-9-4-5-10-20(19)23)16-21(27)24-13-17-7-2-3-8-18(17)14-25-12-6-11-22(25)28/h2-5,7-10H,6,11-16H2,1H3,(H,24,27)
InChIKeyAZRVGFQNOHFNEN-UHFFFAOYSA-N
MW463.99 g/mol
LogP2.54
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 100768080) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID100768080
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c1-31(29,30)26(15-19-9-4-5-10-20(19)23)16-21(27)24-13-17-7-2-3-8-18(17)14-25-12-6-11-22(25)28/h2-5,7-10H,6,11-16H2,1H3,(H,24,27)
InChIKeyAZRVGFQNOHFNEN-UHFFFAOYSA-N
XLogP2.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-N-methylsulfonylanilino)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30220336
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30302418
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2,5-diethylphenyl)methyl]acetamide
CID 100721116
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30302414
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30223117
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 100563046
3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124748989
N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149983
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 100727602
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (CID 100768080) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is AZRVGFQNOHFNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-31(29,30)26(15-19-9-4-5-10-20(19)23)16-21(27)24-13-17-7-2-3-8-18(17)14-25-12-6-11-22(25)28/h2-5,7-10H,6,11-16H2,1H3,(H,24,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 463.99 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 100768080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).