N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C25H25ClN2O3S — CID 4080269

IUPACN-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(C2SCCN2C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1
InChIInChI=1S/C25H25ClN2O3S/c1-17-8-10-20(15-21(17)26)27-25(29)28-12-13-32-24(28)19-9-11-22(23(14-19)30-2)31-16-18-6-4-3-5-7-18/h3-11,14-15,24H,12-13,16H2,1-2H3,(H,27,29)
InChIKeyBUCKZZZXDWZJGD-UHFFFAOYSA-N
MW469.01 g/mol
LogP6.52
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4080269) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4080269
Molecular FormulaC25H25ClN2O3S
Molecular Weight469.01 g/mol
Exact Mass468.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(C2SCCN2C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1
InChIInChI=1S/C25H25ClN2O3S/c1-17-8-10-20(15-21(17)26)27-25(29)28-12-13-32-24(28)19-9-11-22(23(14-19)30-2)31-16-18-6-4-3-5-7-18/h3-11,14-15,24H,12-13,16H2,1-2H3,(H,27,29)
InChIKeyBUCKZZZXDWZJGD-UHFFFAOYSA-N
XLogP6.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728
N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077565
2-(3-methoxy-4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4536844
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025935
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4047301
(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
2-ethyl-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 3309576
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122345663
(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 93115004
(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7301691

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 4080269) is N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cc(C2SCCN2C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is BUCKZZZXDWZJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c1-17-8-10-20(15-21(17)26)27-25(29)28-12-13-32-24(28)19-9-11-22(23(14-19)30-2)31-16-18-6-4-3-5-7-18/h3-11,14-15,24H,12-13,16H2,1-2H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 469.01 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4080269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).