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

C19H18N4O4S2 — CID 3235655

IUPAC4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)14-5-7-20-8-6-14)15-1-3-16(4-2-15)29(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,21,22,24)
InChIKeyYBSWUESUOHVIAL-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.48
Rot. Bonds5

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

4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 3235655) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID3235655
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC Name4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)14-5-7-20-8-6-14)15-1-3-16(4-2-15)29(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,21,22,24)
InChIKeyYBSWUESUOHVIAL-UHFFFAOYSA-N
XLogP2.48
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 3235655) is 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YBSWUESUOHVIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c24-18(22-19-21-17(13-28-19)14-5-7-20-8-6-14)15-1-3-16(4-2-15)29(25,26)23-9-11-27-12-10-23/h1-8,13H,9-12H2,(H,21,22,24).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3235655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).