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

C24H24N2O2S — CID 1025935

IUPAC(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCS[C@H]2c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-18-11-13-20(14-12-18)25-24(27)26-15-16-29-23(26)21-9-5-6-10-22(21)28-17-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyBHVYCNCZGSYMQV-QHCPKHFHSA-N
MW404.54 g/mol
LogP5.85
Rot. Bonds5

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

(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025935) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025935
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCS[C@H]2c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-18-11-13-20(14-12-18)25-24(27)26-15-16-29-23(26)21-9-5-6-10-22(21)28-17-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyBHVYCNCZGSYMQV-QHCPKHFHSA-N
XLogP5.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3443651
N-(2-ethylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5069506
ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7297696
(2R)-2-(2-fluorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7499220
(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 1025017
3,3-dimethyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 4113607
N-[4-[[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 3531101
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4080269
2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3647053

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025935) is (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is Cc1ccc(NC(=O)N2CCS[C@H]2c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is BHVYCNCZGSYMQV-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-18-11-13-20(14-12-18)25-24(27)26-15-16-29-23(26)21-9-5-6-10-22(21)28-17-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3,(H,25,27)/t23-/m0/s1.
What are the key properties of (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).