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

C21H25N3O5S — CID 30220125

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C21H25N3O5S/c1-15-12-16(9-10-19(15)23-11-5-8-21(23)26)22-20(25)14-24(30(3,27)28)17-6-4-7-18(13-17)29-2/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,22,25)
InChIKeyXRYSXPZFRLOMHS-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.54
Rot. Bonds7

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

2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 30220125) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID30220125
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C21H25N3O5S/c1-15-12-16(9-10-19(15)23-11-5-8-21(23)26)22-20(25)14-24(30(3,27)28)17-6-4-7-18(13-17)29-2/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,22,25)
InChIKeyXRYSXPZFRLOMHS-UHFFFAOYSA-N
XLogP2.54
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30218957
N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679288
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210714
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43892764
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30215188
2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide
CID 74249571
methyl 4-[methylsulfonyl-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]benzoate
CID 56539474

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 30220125) is 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is COc1cccc(N(CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is XRYSXPZFRLOMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15-12-16(9-10-19(15)23-11-5-8-21(23)26)22-20(25)14-24(30(3,27)28)17-6-4-7-18(13-17)29-2/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 431.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 30220125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).