4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C21H23N3O6S2 — CID 26002695

IUPAC4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C21H23N3O6S2/c25-20-5-2-11-24(20)18-4-1-3-16(13-18)22-21(26)15-6-8-19(9-7-15)32(29,30)23-17-10-12-31(27,28)14-17/h1,3-4,6-9,13,17,23H,2,5,10-12,14H2,(H,22,26)/t17-/m1/s1
InChIKeyHOIWBNKDJGEXHE-QGZVFWFLSA-N
MW477.56 g/mol
LogP1.53
Rot. Bonds6

About 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 26002695) has the molecular formula C21H23N3O6S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID26002695
Molecular FormulaC21H23N3O6S2
Molecular Weight477.56 g/mol
Exact Mass477.10
IUPAC Name4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C21H23N3O6S2/c25-20-5-2-11-24(20)18-4-1-3-16(13-18)22-21(26)15-6-8-19(9-7-15)32(29,30)23-17-10-12-31(27,28)14-17/h1,3-4,6-9,13,17,23H,2,5,10-12,14H2,(H,22,26)/t17-/m1/s1
InChIKeyHOIWBNKDJGEXHE-QGZVFWFLSA-N
XLogP1.53
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxysulfamoyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55704261
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41119372
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
CID 40795878
N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109059272
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8589902
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 26002695) is 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is HOIWBNKDJGEXHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O6S2/c25-20-5-2-11-24(20)18-4-1-3-16(13-18)22-21(26)15-6-8-19(9-7-15)32(29,30)23-17-10-12-31(27,28)14-17/h1,3-4,6-9,13,17,23H,2,5,10-12,14H2,(H,22,26)/t17-/m1/s1.
What are the key properties of 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 477.56 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 26002695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).