N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

C30H26ClN3O4S2 — CID 126182213

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C30H26ClN3O4S2/c31-24-10-12-26(13-11-24)33-40(37,38)27-16-14-25(15-17-27)32-29(36)22-6-8-23(9-7-22)30-34(28(35)20-39-30)19-18-21-4-2-1-3-5-21/h1-17,30,33H,18-20H2,(H,32,36)/t30-/m0/s1
InChIKeyFDRBOSLNXNBTIS-PMERELPUSA-N
MW592.14 g/mol
LogP6.21
Rot. Bonds9

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 126182213) has the molecular formula C30H26ClN3O4S2 and a molecular weight of 592.14 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
PubChem CID126182213
Molecular FormulaC30H26ClN3O4S2
Molecular Weight592.14 g/mol
Exact Mass591.11
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C30H26ClN3O4S2/c31-24-10-12-26(13-11-24)33-40(37,38)27-16-14-25(15-17-27)32-29(36)22-6-8-23(9-7-22)30-34(28(35)20-39-30)19-18-21-4-2-1-3-5-21/h1-17,30,33H,18-20H2,(H,32,36)/t30-/m0/s1
InChIKeyFDRBOSLNXNBTIS-PMERELPUSA-N
XLogP6.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.14
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126178762
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126190058
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43905770
N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126118506
methyl 4-[[4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 982903
4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 94864429
4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide
CID 126180008
N-(4-ethoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5053317
N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5066710
N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 27154665
N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 124554349
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126172626

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 126182213) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is FDRBOSLNXNBTIS-PMERELPUSA-N. The full InChI is InChI=1S/C30H26ClN3O4S2/c31-24-10-12-26(13-11-24)33-40(37,38)27-16-14-25(15-17-27)32-29(36)22-6-8-23(9-7-22)30-34(28(35)20-39-30)19-18-21-4-2-1-3-5-21/h1-17,30,33H,18-20H2,(H,32,36)/t30-/m0/s1.
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 592.14 g/mol, XLogP of 6.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 126182213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).