2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H27N3O4S — CID 30218957

IUPAC2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C22H27N3O4S/c1-15-7-8-16(2)20(12-15)25(30(4,28)29)14-21(26)23-18-9-10-19(17(3)13-18)24-11-5-6-22(24)27/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,23,26)
InChIKeyBLCWGOIOLOAXMW-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.14
Rot. Bonds6

About 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30218957) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID30218957
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C22H27N3O4S/c1-15-7-8-16(2)20(12-15)25(30(4,28)29)14-21(26)23-18-9-10-19(17(3)13-18)24-11-5-6-22(24)27/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,23,26)
InChIKeyBLCWGOIOLOAXMW-UHFFFAOYSA-N
XLogP3.14
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30254169
2-(4-fluoro-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30222006
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30221585
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30252683
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30216508
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30220125
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210714
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30214973
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30216324
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30215188

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30218957) is 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1ccc(C)c(N(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is BLCWGOIOLOAXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-7-8-16(2)20(12-15)25(30(4,28)29)14-21(26)23-18-9-10-19(17(3)13-18)24-11-5-6-22(24)27/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,23,26).
What are the key properties of 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 429.54 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30218957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).