N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

C24H23FN2O3S2 — CID 10238721

IUPACN-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESCC(NC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H23FN2O3S2/c1-17(18-7-11-21(25)12-8-18)26-23(28)24-27(15-16-31-24)32(29,30)22-13-9-20(10-14-22)19-5-3-2-4-6-19/h2-14,17,24H,15-16H2,1H3,(H,26,28)
InChIKeyXUIQHEIEQNUKRJ-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.43
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (PubChem CID 10238721) has the molecular formula C24H23FN2O3S2 and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
PubChem CID10238721
Molecular FormulaC24H23FN2O3S2
Molecular Weight470.59 g/mol
Exact Mass470.11
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESCC(NC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H23FN2O3S2/c1-17(18-7-11-21(25)12-8-18)26-23(28)24-27(15-16-31-24)32(29,30)22-13-9-20(10-14-22)19-5-3-2-4-6-19/h2-14,17,24H,15-16H2,1H3,(H,26,28)
InChIKeyXUIQHEIEQNUKRJ-UHFFFAOYSA-N
XLogP4.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (CID 10238721) is N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is CC(NC(=O)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The InChIKey is XUIQHEIEQNUKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S2/c1-17(18-7-11-21(25)12-8-18)26-23(28)24-27(15-16-31-24)32(29,30)22-13-9-20(10-14-22)19-5-3-2-4-6-19/h2-14,17,24H,15-16H2,1H3,(H,26,28).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 10238721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).