N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C17H16N2O5S — CID 3154522

IUPACN-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C17H16N2O5S/c1-11-7-8-14(24-2)13(9-11)18-16(20)10-19-17(21)12-5-3-4-6-15(12)25(19,22)23/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyZRZBCMXMLPBIOV-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.79
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 3154522) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID3154522
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C17H16N2O5S/c1-11-7-8-14(24-2)13(9-11)18-16(20)10-19-17(21)12-5-3-4-6-15(12)25(19,22)23/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyZRZBCMXMLPBIOV-UHFFFAOYSA-N
XLogP1.79
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[4-(1,1,3-Trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
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4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993214
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
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CID 2987883
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
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CID 662699
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
1,2-Benzisothiazole-2-acetamide, 6-fluoro-2,3-dihydro-N-(4-methoxyphenyl)-3-oxo-
CID 5304230
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 3154522) is N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is COc1ccc(C)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is ZRZBCMXMLPBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11-7-8-14(24-2)13(9-11)18-16(20)10-19-17(21)12-5-3-4-6-15(12)25(19,22)23/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 360.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3154522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).