4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

C16H19N3O5S2 — CID 3874979

IUPAC4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H19N3O5S2/c1-11-10-17-16(25-11)18-15(20)12-3-4-13(23-2)14(9-12)26(21,22)19-5-7-24-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyYRXDCCXIIAPMJR-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.73
Rot. Bonds5

About 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 3874979) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID3874979
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC Name4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H19N3O5S2/c1-11-10-17-16(25-11)18-15(20)12-3-4-13(23-2)14(9-12)26(21,22)19-5-7-24-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyYRXDCCXIIAPMJR-UHFFFAOYSA-N
XLogP1.73
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 3874979) is 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YRXDCCXIIAPMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-11-10-17-16(25-11)18-15(20)12-3-4-13(23-2)14(9-12)26(21,22)19-5-7-24-8-6-19/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,20).
What are the key properties of 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3874979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).