2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C24H21ClN2O2S — CID 93127990

IUPAC2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1
InChIInChI=1S/C24H21ClN2O2S/c1-15-10-16(2)12-19(11-15)27-22(28)14-30-24(27)17-6-5-7-18(13-17)26-23(29)20-8-3-4-9-21(20)25/h3-13,24H,14H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyMQRVVSZYXNBUOH-DEOSSOPVSA-N
MW436.96 g/mol
LogP5.99
Rot. Bonds4

About 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127990) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93127990
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC Name2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1
InChIInChI=1S/C24H21ClN2O2S/c1-15-10-16(2)12-19(11-15)27-22(28)14-30-24(27)17-6-5-7-18(13-17)26-23(29)20-8-3-4-9-21(20)25/h3-13,24H,14H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyMQRVVSZYXNBUOH-DEOSSOPVSA-N
XLogP5.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125328
2-chloro-N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127527
2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125330
2-methyl-N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804082
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881
N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide
CID 42807662
N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 93127994
N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
CID 93127838
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
CID 42805280
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]decanamide
CID 42807663
3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127990) is 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3Cl)c2)c1.
What is the InChIKey of 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is MQRVVSZYXNBUOH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-15-10-16(2)12-19(11-15)27-22(28)14-30-24(27)17-6-5-7-18(13-17)26-23(29)20-8-3-4-9-21(20)25/h3-13,24H,14H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 436.96 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).