N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide

C25H25N3O2S — CID 93127838

IUPACN-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C25H25N3O2S/c1-17-7-4-5-10-22(17)24(30)26-19-9-6-8-18(15-19)25-28(23(29)16-31-25)21-13-11-20(12-14-21)27(2)3/h4-15,25H,16H2,1-3H3,(H,26,30)/t25-/m1/s1
InChIKeyXYEQSVSCYXRKJS-RUZDIDTESA-N
MW431.56 g/mol
LogP5.09
Rot. Bonds5

About N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide

N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide (PubChem CID 93127838) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
PubChem CID93127838
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC NameN-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C25H25N3O2S/c1-17-7-4-5-10-22(17)24(30)26-19-9-6-8-18(15-19)25-28(23(29)16-31-25)21-13-11-20(12-14-21)27(2)3/h4-15,25H,16H2,1-3H3,(H,26,30)/t25-/m1/s1
InChIKeyXYEQSVSCYXRKJS-RUZDIDTESA-N
XLogP5.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804082
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
CID 42805280
2-chloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125328
N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 93127885
N-[4-[(2S)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127802
(2R)-N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93127857
2-chloro-N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127990
2,4-dichloro-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125330
N-[3-[(2R)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93127627
N-[3-[3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-fluorobenzamide
CID 42667093
N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
CID 93127787
N-[3-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
CID 42804661

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide (CID 93127838) is N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
The InChIKey is XYEQSVSCYXRKJS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-17-7-4-5-10-22(17)24(30)26-19-9-6-8-18(15-19)25-28(23(29)16-31-25)21-13-11-20(12-14-21)27(2)3/h4-15,25H,16H2,1-3H3,(H,26,30)/t25-/m1/s1.
What are the key properties of N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide?
N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 93127838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).