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

C22H22F2N4O3S2 — CID 2530069

IUPACN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1
InChIInChI=1S/C22H22F2N4O3S2/c1-27(2)33(30,31)15-6-8-20(28-9-3-4-10-28)17(12-15)21(29)26-22-25-19(13-32-22)16-11-14(23)5-7-18(16)24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,26,29)
InChIKeyOLPFGCVSORUDCT-UHFFFAOYSA-N
MW492.57 g/mol
LogP4.19
Rot. Bonds6

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

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 2530069) has the molecular formula C22H22F2N4O3S2 and a molecular weight of 492.57 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID2530069
Molecular FormulaC22H22F2N4O3S2
Molecular Weight492.57 g/mol
Exact Mass492.11
IUPAC NameN-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1
InChIInChI=1S/C22H22F2N4O3S2/c1-27(2)33(30,31)15-6-8-20(28-9-3-4-10-28)17(12-15)21(29)26-22-25-19(13-32-22)16-11-14(23)5-7-18(16)24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,26,29)
InChIKeyOLPFGCVSORUDCT-UHFFFAOYSA-N
XLogP4.19
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.19
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-{2'-[4-(aminosulfonyl)anilino]-4-methyl-4',5-bis(1,3-thiazole)-2-yl}benzamide
CID 1632861
N-benzo[e][1,3]benzothiazol-2-yl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 2444823
5-(dimethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylbenzamide
CID 2452144
N-[4-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 2504417

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 2530069) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is OLPFGCVSORUDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3S2/c1-27(2)33(30,31)15-6-8-20(28-9-3-4-10-28)17(12-15)21(29)26-22-25-19(13-32-22)16-11-14(23)5-7-18(16)24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,26,29).
What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 492.57 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 2530069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).