4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one

C20H22N2O5S2 — CID 20964947

IUPAC4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one
SMILESCOc1cccc(CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1
InChIInChI=1S/C20H22N2O5S2/c1-26-16-4-2-3-15(11-16)13-22-18-12-17(5-6-19(18)28-14-20(22)23)29(24,25)21-7-9-27-10-8-21/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyJXXAJNUNXBWBRA-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.36
Rot. Bonds5

About 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one

4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one (PubChem CID 20964947) has the molecular formula C20H22N2O5S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one
PubChem CID20964947
Molecular FormulaC20H22N2O5S2
Molecular Weight434.54 g/mol
Exact Mass434.10
IUPAC Name4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one
SMILESCOc1cccc(CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1
InChIInChI=1S/C20H22N2O5S2/c1-26-16-4-2-3-15(11-16)13-22-18-12-17(5-6-19(18)28-14-20(22)23)29(24,25)21-7-9-27-10-8-21/h2-6,11-12H,7-10,13-14H2,1H3
InChIKeyJXXAJNUNXBWBRA-UHFFFAOYSA-N
XLogP2.36
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-morpholin-4-ylsulfonyl-4-(pyridin-4-ylmethyl)-1,4-benzothiazin-3-one
CID 46349061
N-(3-methoxyphenyl)-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 20903114
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903155
N-(4-methylphenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903189
N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1456436
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
N-(4-fluorophenyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903157
N-(2-methylcyclohexyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 20903181
1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 42624536
methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917528
2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 4850293
5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 53170579

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one (CID 20964947) is 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one is COc1cccc(CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one?
The InChIKey is JXXAJNUNXBWBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S2/c1-26-16-4-2-3-15(11-16)13-22-18-12-17(5-6-19(18)28-14-20(22)23)29(24,25)21-7-9-27-10-8-21/h2-6,11-12H,7-10,13-14H2,1H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one?
4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one has a molecular weight of 434.54 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 20964947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).