5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide

C22H23FN4O3S2 — CID 2452144

IUPAC5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C22H23FN4O3S2/c1-26(2)32(29,30)17-9-10-20(27-11-3-4-12-27)18(13-17)21(28)25-22-24-19(14-31-22)15-5-7-16(23)8-6-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,25,28)
InChIKeyYANDCVHESCVWHA-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.05
Rot. Bonds6

About 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 2452144) has the molecular formula C22H23FN4O3S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide
PubChem CID2452144
Molecular FormulaC22H23FN4O3S2
Molecular Weight474.58 g/mol
Exact Mass474.12
IUPAC Name5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C22H23FN4O3S2/c1-26(2)32(29,30)17-9-10-20(27-11-3-4-12-27)18(13-17)21(28)25-22-24-19(14-31-22)15-5-7-16(23)8-6-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,25,28)
InChIKeyYANDCVHESCVWHA-UHFFFAOYSA-N
XLogP4.05
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
2-[(4-Methylphenyl)sulfonylamino]-n-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 70789348
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2336835
2-((3-(3-(Dimethylamino)propyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2440919
N-(Benzo[d]thiazol-2-yl)-5-(N,N-dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzamide
CID 2529879
N-[4-(4-fluorophenyl)-2-thiazolyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 657154
3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1085004
N-[4-(1-Methanesulfonyl-2,3-dihydro-1H-indol-5-yl)-thiazol-2-yl]-2-phenyl-acetamide
CID 1458486
N-{2'-[4-(aminosulfonyl)anilino]-4-methyl-4',5-bis(1,3-thiazole)-2-yl}benzamide
CID 1632861
3-piperidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 2404328
N-benzo[e][1,3]benzothiazol-2-yl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 2444823

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide (CID 2452144) is 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is YANDCVHESCVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S2/c1-26(2)32(29,30)17-9-10-20(27-11-3-4-12-27)18(13-17)21(28)25-22-24-19(14-31-22)15-5-7-16(23)8-6-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,25,28).
What are the key properties of 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 474.58 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 2452144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).