(2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide

C25H24ClN3O3S — CID 92703689

IUPAC(2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1[C@H](C(=O)NCc2ccc(Cl)cc2)CS[C@H]1c1ccccc1
InChIInChI=1S/C25H24ClN3O3S/c1-32-22-10-6-5-9-20(22)28-25(31)29-21(16-33-24(29)18-7-3-2-4-8-18)23(30)27-15-17-11-13-19(26)14-12-17/h2-14,21,24H,15-16H2,1H3,(H,27,30)(H,28,31)/t21-,24-/m0/s1
InChIKeyOCKFQEGXHNEHID-URXFXBBRSA-N
MW482.01 g/mol
LogP5.31
Rot. Bonds6

About (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide

(2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide (PubChem CID 92703689) has the molecular formula C25H24ClN3O3S and a molecular weight of 482.01 g/mol. Its IUPAC name is (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
PubChem CID92703689
Molecular FormulaC25H24ClN3O3S
Molecular Weight482.01 g/mol
Exact Mass481.12
IUPAC Name(2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1[C@H](C(=O)NCc2ccc(Cl)cc2)CS[C@H]1c1ccccc1
InChIInChI=1S/C25H24ClN3O3S/c1-32-22-10-6-5-9-20(22)28-25(31)29-21(16-33-24(29)18-7-3-2-4-8-18)23(30)27-15-17-11-13-19(26)14-12-17/h2-14,21,24H,15-16H2,1H3,(H,27,30)(H,28,31)/t21-,24-/m0/s1
InChIKeyOCKFQEGXHNEHID-URXFXBBRSA-N
XLogP5.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-4-N-[(4-ethylphenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 92701472
4-N-(2-methoxyethyl)-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 126458629
(2S,4S)-4-N-[(4-chlorophenyl)methyl]-3-N-(3,4-dimethylphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide
CID 92703684
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
3-[(2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791544
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
(2R,4S)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323795
(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323796
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide?
The IUPAC name of (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide (CID 92703689) is (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide.
What is the SMILES notation for (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide?
The canonical SMILES for (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide is COc1ccccc1NC(=O)N1[C@H](C(=O)NCc2ccc(Cl)cc2)CS[C@H]1c1ccccc1.
What is the InChIKey of (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide?
The InChIKey is OCKFQEGXHNEHID-URXFXBBRSA-N. The full InChI is InChI=1S/C25H24ClN3O3S/c1-32-22-10-6-5-9-20(22)28-25(31)29-21(16-33-24(29)18-7-3-2-4-8-18)23(30)27-15-17-11-13-19(26)14-12-17/h2-14,21,24H,15-16H2,1H3,(H,27,30)(H,28,31)/t21-,24-/m0/s1.
What are the key properties of (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide?
(2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide has a molecular weight of 482.01 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-N-[(4-chlorophenyl)methyl]-3-N-(2-methoxyphenyl)-2-phenyl-1,3-thiazolidine-3,4-dicarboxamide is sourced from PubChem (CID 92703689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).