(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide

C25H25N3O4S2 — CID 55940328

IUPAC(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O4S2/c1-17-7-6-8-18(2)23(17)27-34(31,32)21-13-11-20(12-14-21)26-24(29)22-15-33-16-28(22)25(30)19-9-4-3-5-10-19/h3-14,22,27H,15-16H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyFINRBBDBZTUGLD-QFIPXVFZSA-N
MW495.63 g/mol
LogP4.26
Rot. Bonds6

About (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55940328) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55940328
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC Name(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O4S2/c1-17-7-6-8-18(2)23(17)27-34(31,32)21-13-11-20(12-14-21)26-24(29)22-15-33-16-28(22)25(30)19-9-4-3-5-10-19/h3-14,22,27H,15-16H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyFINRBBDBZTUGLD-QFIPXVFZSA-N
XLogP4.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55942502
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(4R)-3-benzoyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 55942505
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
3-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 60555694
(4R)-3-benzoyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 55941234
3-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55768686
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
CID 55796095
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide (CID 55940328) is (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FINRBBDBZTUGLD-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-17-7-6-8-18(2)23(17)27-34(31,32)21-13-11-20(12-14-21)26-24(29)22-15-33-16-28(22)25(30)19-9-4-3-5-10-19/h3-14,22,27H,15-16H2,1-2H3,(H,26,29)/t22-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55940328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).