2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

C20H20N4O4S2 — CID 2359597

IUPAC2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H20N4O4S2/c1-14-4-5-16(30(26,27)24-7-9-28-10-8-24)11-17(14)19(25)23-20-22-18(13-29-20)15-3-2-6-21-12-15/h2-6,11-13H,7-10H2,1H3,(H,22,23,25)
InChIKeyFOZQTSNSJISQOU-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.79
Rot. Bonds5

About 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2359597) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2359597
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H20N4O4S2/c1-14-4-5-16(30(26,27)24-7-9-28-10-8-24)11-17(14)19(25)23-20-22-18(13-29-20)15-3-2-6-21-12-15/h2-6,11-13H,7-10H2,1H3,(H,22,23,25)
InChIKeyFOZQTSNSJISQOU-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 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 2359597) is 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FOZQTSNSJISQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-14-4-5-16(30(26,27)24-7-9-28-10-8-24)11-17(14)19(25)23-20-22-18(13-29-20)15-3-2-6-21-12-15/h2-6,11-13H,7-10H2,1H3,(H,22,23,25).
What are the key properties of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-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 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2359597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).