(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide

C18H21FN2O4S2 — CID 24906118

IUPAC(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCOCC2)C(=O)Nc2ncc(F)s2)cc1
InChIInChI=1S/C18H21FN2O4S2/c1-27(23,24)14-4-2-13(3-5-14)15(10-12-6-8-25-9-7-12)17(22)21-18-20-11-16(19)26-18/h2-5,11-12,15H,6-10H2,1H3,(H,20,21,22)/t15-/m1/s1
InChIKeyIERGAZGAANLJJZ-OAHLLOKOSA-N
MW412.51 g/mol
LogP3.22
Rot. Bonds6

About (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide

(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide (PubChem CID 24906118) has the molecular formula C18H21FN2O4S2 and a molecular weight of 412.51 g/mol. Its IUPAC name is (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide
PubChem CID24906118
Molecular FormulaC18H21FN2O4S2
Molecular Weight412.51 g/mol
Exact Mass412.09
IUPAC Name(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCOCC2)C(=O)Nc2ncc(F)s2)cc1
InChIInChI=1S/C18H21FN2O4S2/c1-27(23,24)14-4-2-13(3-5-14)15(10-12-6-8-25-9-7-12)17(22)21-18-20-11-16(19)26-18/h2-5,11-12,15H,6-10H2,1H3,(H,20,21,22)/t15-/m1/s1
InChIKeyIERGAZGAANLJJZ-OAHLLOKOSA-N
XLogP3.22
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide (CID 24906118) is (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide is CS(=O)(=O)c1ccc([C@@H](CC2CCOCC2)C(=O)Nc2ncc(F)s2)cc1.
What is the InChIKey of (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide?
The InChIKey is IERGAZGAANLJJZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21FN2O4S2/c1-27(23,24)14-4-2-13(3-5-14)15(10-12-6-8-25-9-7-12)17(22)21-18-20-11-16(19)26-18/h2-5,11-12,15H,6-10H2,1H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide?
(2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide has a molecular weight of 412.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 24906118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).