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

C20H20N4O4S2 — CID 4853613

IUPAC4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O4S2/c1-14-5-6-15(12-18(14)30(26,27)24-8-10-28-11-9-24)19(25)23-20-22-17(13-29-20)16-4-2-3-7-21-16/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)
InChIKeyICXBYAWXQRDDNK-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.79
Rot. Bonds5

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

4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4853613) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4853613
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O4S2/c1-14-5-6-15(12-18(14)30(26,27)24-8-10-28-11-9-24)19(25)23-20-22-17(13-29-20)16-4-2-3-7-21-16/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)
InChIKeyICXBYAWXQRDDNK-UHFFFAOYSA-N
XLogP2.79
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 4853613) is 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ICXBYAWXQRDDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-14-5-6-15(12-18(14)30(26,27)24-8-10-28-11-9-24)19(25)23-20-22-17(13-29-20)16-4-2-3-7-21-16/h2-7,12-13H,8-11H2,1H3,(H,22,23,25).
What are the key properties of 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 444.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4853613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).