(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide

C22H25FN2O2S — CID 1062714

IUPAC(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H25FN2O2S/c1-14(2)15(3)24-20(26)19-13-28-22(17-10-7-11-18(23)12-17)25(19)21(27)16-8-5-4-6-9-16/h4-12,14-15,19,22H,13H2,1-3H3,(H,24,26)/t15-,19+,22+/m0/s1
InChIKeyUELSDOCUGQRPKN-VQPPSCEASA-N
MW400.52 g/mol
LogP4.24
Rot. Bonds5

About (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide

(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 1062714) has the molecular formula C22H25FN2O2S and a molecular weight of 400.52 g/mol. Its IUPAC name is (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID1062714
Molecular FormulaC22H25FN2O2S
Molecular Weight400.52 g/mol
Exact Mass400.16
IUPAC Name(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H25FN2O2S/c1-14(2)15(3)24-20(26)19-13-28-22(17-10-7-11-18(23)12-17)25(19)21(27)16-8-5-4-6-9-16/h4-12,14-15,19,22H,13H2,1-3H3,(H,24,26)/t15-,19+,22+/m0/s1
InChIKeyUELSDOCUGQRPKN-VQPPSCEASA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-3-benzoyl-2-(3-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7362198
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
(2R,4S)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1062794
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 3939901
3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748301
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42745146
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
(2S,4R)-N-butyl-2-(3-fluorophenyl)-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7337817
3-benzoyl-2-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42743856
(2R,4R)-3-butanoyl-2-(3-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 6961863
N-(1-benzylpiperidin-4-yl)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3591486
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 1062714) is (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide is CC(C)[C@H](C)NC(=O)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1.
What is the InChIKey of (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is UELSDOCUGQRPKN-VQPPSCEASA-N. The full InChI is InChI=1S/C22H25FN2O2S/c1-14(2)15(3)24-20(26)19-13-28-22(17-10-7-11-18(23)12-17)25(19)21(27)16-8-5-4-6-9-16/h4-12,14-15,19,22H,13H2,1-3H3,(H,24,26)/t15-,19+,22+/m0/s1.
What are the key properties of (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide?
(2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3-benzoyl-2-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 1062714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).