(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide

C22H19ClN2O2S — CID 1025269

IUPAC(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H19ClN2O2S/c23-17-9-11-18(12-10-17)24-22(26)25-13-14-28-21(25)16-5-4-8-20(15-16)27-19-6-2-1-3-7-19/h1-12,15,21H,13-14H2,(H,24,26)/t21-/m0/s1
InChIKeyFEZDMJCAPLKVDG-NRFANRHFSA-N
MW410.93 g/mol
LogP6.41
Rot. Bonds4

About (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide

(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025269) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025269
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC Name(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H19ClN2O2S/c23-17-9-11-18(12-10-17)24-22(26)25-13-14-28-21(25)16-5-4-8-20(15-16)27-19-6-2-1-3-7-19/h1-12,15,21H,13-14H2,(H,24,26)/t21-/m0/s1
InChIKeyFEZDMJCAPLKVDG-NRFANRHFSA-N
XLogP6.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025382
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4069010
N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4047301
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025273
(2R)-N-(2-ethoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025381
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]dodecan-1-one
CID 42665401

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025269) is (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is FEZDMJCAPLKVDG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c23-17-9-11-18(12-10-17)24-22(26)25-13-14-28-21(25)16-5-4-8-20(15-16)27-19-6-2-1-3-7-19/h1-12,15,21H,13-14H2,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).