(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide

C21H25N3O4S2 — CID 55942502

IUPAC(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O4S2/c1-3-23(4-2)30(27,28)18-12-10-17(11-13-18)22-20(25)19-14-29-15-24(19)21(26)16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyDLULEHPLMXQGAA-IBGZPJMESA-N
MW447.58 g/mol
LogP2.87
Rot. Bonds7

About (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55942502) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55942502
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC Name(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O4S2/c1-3-23(4-2)30(27,28)18-12-10-17(11-13-18)22-20(25)19-14-29-15-24(19)21(26)16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyDLULEHPLMXQGAA-IBGZPJMESA-N
XLogP2.87
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4R)-3-benzoyl-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55940328
(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 95154199
3-benzoyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55768686
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
3-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 60555694
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
CID 55796095
trans-(1R,2R)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112181

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 55942502) is (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1.
What is the InChIKey of (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DLULEHPLMXQGAA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-3-23(4-2)30(27,28)18-12-10-17(11-13-18)22-20(25)19-14-29-15-24(19)21(26)16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55942502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).