4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C20H20N4O5S2 — CID 2441007

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O5S2/c1-28-17-6-5-14(12-18(17)31(26,27)24-8-10-29-11-9-24)19(25)23-20-22-16(13-30-20)15-4-2-3-7-21-15/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)
InChIKeyPDKINHKRRZJYHT-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.49
Rot. Bonds6

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2441007) has the molecular formula C20H20N4O5S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2441007
Molecular FormulaC20H20N4O5S2
Molecular Weight460.54 g/mol
Exact Mass460.09
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O5S2/c1-28-17-6-5-14(12-18(17)31(26,27)24-8-10-29-11-9-24)19(25)23-20-22-16(13-30-20)15-4-2-3-7-21-15/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)
InChIKeyPDKINHKRRZJYHT-UHFFFAOYSA-N
XLogP2.49
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 2441007) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PDKINHKRRZJYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S2/c1-28-17-6-5-14(12-18(17)31(26,27)24-8-10-29-11-9-24)19(25)23-20-22-16(13-30-20)15-4-2-3-7-21-15/h2-7,12-13H,8-11H2,1H3,(H,22,23,25).
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 460.54 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2441007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).