1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide

C22H25N3O6S — CID 16545932

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H25N3O6S/c1-14-4-5-16(11-20(14)32(28,29)24(2)3)23-22(27)15-10-21(26)25(13-15)17-6-7-18-19(12-17)31-9-8-30-18/h4-7,11-12,15H,8-10,13H2,1-3H3,(H,23,27)
InChIKeyNDPRWOBFPRVEKJ-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.01
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 16545932) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID16545932
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H25N3O6S/c1-14-4-5-16(11-20(14)32(28,29)24(2)3)23-22(27)15-10-21(26)25(13-15)17-6-7-18-19(12-17)31-9-8-30-18/h4-7,11-12,15H,8-10,13H2,1-3H3,(H,23,27)
InChIKeyNDPRWOBFPRVEKJ-UHFFFAOYSA-N
XLogP2.01
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946595
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26213308
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42909279
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791215
N-(4-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 18077892
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 2091453
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 4567433
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 8747510
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42655484
(3R)-N-(4-carbamoylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7926395
(3R)-N-(3-chloro-4-cyanophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2559067

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 16545932) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NDPRWOBFPRVEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-14-4-5-16(11-20(14)32(28,29)24(2)3)23-22(27)15-10-21(26)25(13-15)17-6-7-18-19(12-17)31-9-8-30-18/h4-7,11-12,15H,8-10,13H2,1-3H3,(H,23,27).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16545932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).