(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

C15H19F3N2O3S2 — CID 34255398

IUPAC(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3S2/c1-10(2)11-3-5-12(6-4-11)25(22,23)20-9-24-7-13(20)14(21)19-8-15(16,17)18/h3-6,10,13H,7-9H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeySNUURJOKQVUUPY-CYBMUJFWSA-N
MW396.46 g/mol
LogP2.55
Rot. Bonds5

About (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 34255398) has the molecular formula C15H19F3N2O3S2 and a molecular weight of 396.46 g/mol. Its IUPAC name is (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID34255398
Molecular FormulaC15H19F3N2O3S2
Molecular Weight396.46 g/mol
Exact Mass396.08
IUPAC Name(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3S2/c1-10(2)11-3-5-12(6-4-11)25(22,23)20-9-24-7-13(20)14(21)19-8-15(16,17)18/h3-6,10,13H,7-9H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeySNUURJOKQVUUPY-CYBMUJFWSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
N-cyclopropyl-N-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 60609564
(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 95152524
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8796884
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
(2R)-4-acetyl-N-[(4-propan-2-ylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-2-carboxamide
CID 67409247
4-(4-propan-2-ylphenyl)sulfonyl-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylic acid
CID 69101937
(2R)-4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25056318
(4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 97010448
4-methylsulfonyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25056317
methyl 1-(4-propan-2-ylphenyl)sulfonylaziridine-2-carboxylate
CID 166643397
4-formyl-1-(4-propan-2-ylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25053990

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 34255398) is (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CC(C)c1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SNUURJOKQVUUPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19F3N2O3S2/c1-10(2)11-3-5-12(6-4-11)25(22,23)20-9-24-7-13(20)14(21)19-8-15(16,17)18/h3-6,10,13H,7-9H2,1-2H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 34255398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).