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

C19H22FN3O5S2 — CID 24957757

IUPAC(2R)-2-(4-cyclopropylsulfonyl-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)C2CC2)cc1=O
InChIInChI=1S/C19H22FN3O5S2/c20-16-11-21-19(29-16)22-18(25)15(9-12-4-7-28-8-5-12)23-6-3-14(10-17(23)24)30(26,27)13-1-2-13/h3,6,10-13,15H,1-2,4-5,7-9H2,(H,21,22,25)/t15-/m1/s1
InChIKeyPBVURYLYUKXWRB-OAHLLOKOSA-N
MW455.53 g/mol
LogP2.38
Rot. Bonds7

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

(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide (PubChem CID 24957757) has the molecular formula C19H22FN3O5S2 and a molecular weight of 455.53 g/mol. Its IUPAC name is (2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
PubChem CID24957757
Molecular FormulaC19H22FN3O5S2
Molecular Weight455.53 g/mol
Exact Mass455.10
IUPAC Name(2R)-2-(4-cyclopropylsulfonyl-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)C2CC2)cc1=O
InChIInChI=1S/C19H22FN3O5S2/c20-16-11-21-19(29-16)22-18(25)15(9-12-4-7-28-8-5-12)23-6-3-14(10-17(23)24)30(26,27)13-1-2-13/h3,6,10-13,15H,1-2,4-5,7-9H2,(H,21,22,25)/t15-/m1/s1
InChIKeyPBVURYLYUKXWRB-OAHLLOKOSA-N
XLogP2.38
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide (CID 24957757) is (2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-2-(4-cyclopropylsulfonyl-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)C2CC2)cc1=O.
What is the InChIKey of (2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
The InChIKey is PBVURYLYUKXWRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FN3O5S2/c20-16-11-21-19(29-16)22-18(25)15(9-12-4-7-28-8-5-12)23-6-3-14(10-17(23)24)30(26,27)13-1-2-13/h3,6,10-13,15H,1-2,4-5,7-9H2,(H,21,22,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide?
(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide has a molecular weight of 455.53 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 24957757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).