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

C22H26N2O2S — CID 1025273

IUPAC(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H26N2O2S/c25-22(23-18-9-3-1-4-10-18)24-14-15-27-21(24)17-8-7-13-20(16-17)26-19-11-5-2-6-12-19/h2,5-8,11-13,16,18,21H,1,3-4,9-10,14-15H2,(H,23,25)/t21-/m0/s1
InChIKeyUXDBDGJNSYTBNN-NRFANRHFSA-N
MW382.53 g/mol
LogP5.57
Rot. Bonds4

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

(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025273) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025273
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H26N2O2S/c25-22(23-18-9-3-1-4-10-18)24-14-15-27-21(24)17-8-7-13-20(16-17)26-19-11-5-2-6-12-19/h2,5-8,11-13,16,18,21H,1,3-4,9-10,14-15H2,(H,23,25)/t21-/m0/s1
InChIKeyUXDBDGJNSYTBNN-NRFANRHFSA-N
XLogP5.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 4142914
(2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7405136
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025269
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025382
(2R)-N-(2-ethoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025381
2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4069010
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5082460
1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]dodecan-1-one
CID 42665401
(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7418724

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025273) is (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide is O=C(NC1CCCCC1)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is UXDBDGJNSYTBNN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2O2S/c25-22(23-18-9-3-1-4-10-18)24-14-15-27-21(24)17-8-7-13-20(16-17)26-19-11-5-2-6-12-19/h2,5-8,11-13,16,18,21H,1,3-4,9-10,14-15H2,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).