2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide

C24H24N2O4S — CID 17200869

IUPAC2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1
InChIInChI=1S/C24H24N2O4S/c1-16(2)17-11-12-22-21(13-17)20-9-4-5-10-23(20)31(28,29)26(22)15-24(27)25-18-7-6-8-19(14-18)30-3/h4-14,16H,15H2,1-3H3,(H,25,27)
InChIKeyJNNVLGRCXNAKSU-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.63
Rot. Bonds5

About 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide

2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 17200869) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID17200869
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1
InChIInChI=1S/C24H24N2O4S/c1-16(2)17-11-12-22-21(13-17)20-9-4-5-10-23(20)31(28,29)26(22)15-24(27)25-18-7-6-8-19(14-18)30-3/h4-14,16H,15H2,1-3H3,(H,25,27)
InChIKeyJNNVLGRCXNAKSU-UHFFFAOYSA-N
XLogP4.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200882
N-(3,4-dimethylphenyl)-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200846
2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 94079547
N-cycloheptyl-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200810
2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-phenylacetamide
CID 17200692
2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 28636819
2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43907543
methyl 3-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate
CID 6501514
4-[[2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetyl]amino]benzoic acid
CID 92684388
2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(4-methoxyphenyl)acetamide
CID 1016562
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(1-phenylethyl)acetamide
CID 17200931
2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(3-methylbutyl)acetamide
CID 50746360

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide (CID 17200869) is 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1.
What is the InChIKey of 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is JNNVLGRCXNAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-16(2)17-11-12-22-21(13-17)20-9-4-5-10-23(20)31(28,29)26(22)15-24(27)25-18-7-6-8-19(14-18)30-3/h4-14,16H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide?
2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 436.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 17200869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).