2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

C26H32N4O6S — CID 30302414

IUPAC2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H32N4O6S/c1-37(34,35)30(23-10-8-20(9-11-23)26(33)28-13-15-36-16-14-28)19-24(31)27-17-21-5-2-3-6-22(21)18-29-12-4-7-25(29)32/h2-3,5-6,8-11H,4,7,12-19H2,1H3,(H,27,31)
InChIKeyXJKZBASQZUVOOY-UHFFFAOYSA-N
MW528.63 g/mol
LogP1.36
Rot. Bonds9

About 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 30302414) has the molecular formula C26H32N4O6S and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID30302414
Molecular FormulaC26H32N4O6S
Molecular Weight528.63 g/mol
Exact Mass528.20
IUPAC Name2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H32N4O6S/c1-37(34,35)30(23-10-8-20(9-11-23)26(33)28-13-15-36-16-14-28)19-24(31)27-17-21-5-2-3-6-22(21)18-29-12-4-7-25(29)32/h2-3,5-6,8-11H,4,7,12-19H2,1H3,(H,27,31)
InChIKeyXJKZBASQZUVOOY-UHFFFAOYSA-N
XLogP1.36
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30302418
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 30257352
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30277058
N-methyl-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30255255
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 30272477
N-[3-(2-chlorophenyl)propyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30277293
2-(2-ethoxy-N-methylsulfonylanilino)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30220336
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 43899147
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077
2-(4-bromo-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30220004
2-(4-fluoro-N-methylsulfonylanilino)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30221989
N-(2-bromophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30261361

Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (CID 30302414) is 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is XJKZBASQZUVOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O6S/c1-37(34,35)30(23-10-8-20(9-11-23)26(33)28-13-15-36-16-14-28)19-24(31)27-17-21-5-2-3-6-22(21)18-29-12-4-7-25(29)32/h2-3,5-6,8-11H,4,7,12-19H2,1H3,(H,27,31).
What are the key properties of 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 528.63 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 30302414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).