(4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C21H23N3O3S4 — CID 46390038

IUPAC(4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCCc1ccccc1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(-c2cccs2)n1
InChIInChI=1S/C21H23N3O3S4/c1-2-15-6-3-4-8-19(15)31(26,27)24-14-28-13-17(24)20(25)22-10-9-16-12-30-21(23-16)18-7-5-11-29-18/h3-8,11-12,17H,2,9-10,13-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyZPWARYNJMSPUPH-QGZVFWFLSA-N
MW493.70 g/mol
LogP3.86
Rot. Bonds8

About (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 46390038) has the molecular formula C21H23N3O3S4 and a molecular weight of 493.70 g/mol. Its IUPAC name is (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID46390038
Molecular FormulaC21H23N3O3S4
Molecular Weight493.70 g/mol
Exact Mass493.06
IUPAC Name(4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCCc1ccccc1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(-c2cccs2)n1
InChIInChI=1S/C21H23N3O3S4/c1-2-15-6-3-4-8-19(15)31(26,27)24-14-28-13-17(24)20(25)22-10-9-16-12-30-21(23-16)18-7-5-11-29-18/h3-8,11-12,17H,2,9-10,13-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyZPWARYNJMSPUPH-QGZVFWFLSA-N
XLogP3.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.70
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 46390038) is (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is CCc1ccccc1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(-c2cccs2)n1.
What is the InChIKey of (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZPWARYNJMSPUPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O3S4/c1-2-15-6-3-4-8-19(15)31(26,27)24-14-28-13-17(24)20(25)22-10-9-16-12-30-21(23-16)18-7-5-11-29-18/h3-8,11-12,17H,2,9-10,13-14H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 493.70 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 46390038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).