3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

C18H18N2O5S2 — CID 2666708

IUPAC3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc(OC)c1C
InChIInChI=1S/C18H18N2O5S2/c1-10-14(24-2)7-11(8-15(10)25-3)17(21)20-18-19-13-6-5-12(27(4,22)23)9-16(13)26-18/h5-9H,1-4H3,(H,19,20,21)
InChIKeyFVIOSMUDMQMJAI-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.28
Rot. Bonds5

About 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2666708) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID2666708
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Name3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc(OC)c1C
InChIInChI=1S/C18H18N2O5S2/c1-10-14(24-2)7-11(8-15(10)25-3)17(21)20-18-19-13-6-5-12(27(4,22)23)9-16(13)26-18/h5-9H,1-4H3,(H,19,20,21)
InChIKeyFVIOSMUDMQMJAI-UHFFFAOYSA-N
XLogP3.28
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (CID 2666708) is 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FVIOSMUDMQMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c1-10-14(24-2)7-11(8-15(10)25-3)17(21)20-18-19-13-6-5-12(27(4,22)23)9-16(13)26-18/h5-9H,1-4H3,(H,19,20,21).
What are the key properties of 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2666708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).