(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

C21H26FN3O5S2 — CID 24957759

IUPAC(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
SMILESO=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)n1ccc(S(=O)(=O)C2CCCC2)cc1=O
InChIInChI=1S/C21H26FN3O5S2/c22-18-13-23-21(31-18)24-20(27)17(11-14-6-9-30-10-7-14)25-8-5-16(12-19(25)26)32(28,29)15-3-1-2-4-15/h5,8,12-15,17H,1-4,6-7,9-11H2,(H,23,24,27)/t17-/m0/s1
InChIKeyURBGIVZQFXRXRU-KRWDZBQOSA-N
MW483.59 g/mol
LogP3.16
Rot. Bonds7

About (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide

(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide (PubChem CID 24957759) has the molecular formula C21H26FN3O5S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
PubChem CID24957759
Molecular FormulaC21H26FN3O5S2
Molecular Weight483.59 g/mol
Exact Mass483.13
IUPAC Name(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
SMILESO=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)n1ccc(S(=O)(=O)C2CCCC2)cc1=O
InChIInChI=1S/C21H26FN3O5S2/c22-18-13-23-21(31-18)24-20(27)17(11-14-6-9-30-10-7-14)25-8-5-16(12-19(25)26)32(28,29)15-3-1-2-4-15/h5,8,12-15,17H,1-4,6-7,9-11H2,(H,23,24,27)/t17-/m0/s1
InChIKeyURBGIVZQFXRXRU-KRWDZBQOSA-N
XLogP3.16
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The IUPAC name of (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide (CID 24957759) is (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide is O=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)n1ccc(S(=O)(=O)C2CCCC2)cc1=O.
What is the InChIKey of (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The InChIKey is URBGIVZQFXRXRU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26FN3O5S2/c22-18-13-23-21(31-18)24-20(27)17(11-14-6-9-30-10-7-14)25-8-5-16(12-19(25)26)32(28,29)15-3-1-2-4-15/h5,8,12-15,17H,1-4,6-7,9-11H2,(H,23,24,27)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 483.59 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 24957759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).