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

C17H16N2O5S2 — CID 659935

IUPAC2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C17H16N2O5S2/c1-23-12-5-4-6-13(24-2)15(12)16(20)19-17-18-11-8-7-10(26(3,21)22)9-14(11)25-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyNFIVBYMHWWZZBB-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.97
Rot. Bonds5

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

2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 659935) has the molecular formula C17H16N2O5S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID659935
Molecular FormulaC17H16N2O5S2
Molecular Weight392.46 g/mol
Exact Mass392.05
IUPAC Name2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C17H16N2O5S2/c1-23-12-5-4-6-13(24-2)15(12)16(20)19-17-18-11-8-7-10(26(3,21)22)9-14(11)25-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyNFIVBYMHWWZZBB-UHFFFAOYSA-N
XLogP2.97
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (CID 659935) is 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NFIVBYMHWWZZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S2/c1-23-12-5-4-6-13(24-2)15(12)16(20)19-17-18-11-8-7-10(26(3,21)22)9-14(11)25-17/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 659935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).