2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

C11H12N2O4S2 — CID 650640

IUPAC2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C11H12N2O4S2/c1-17-6-10(14)13-11-12-8-4-3-7(19(2,15)16)5-9(8)18-11/h3-5H,6H2,1-2H3,(H,12,13,14)
InChIKeyZBSOCUBDZWTLSZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.28
Rot. Bonds4

About 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 650640) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID650640
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C11H12N2O4S2/c1-17-6-10(14)13-11-12-8-4-3-7(19(2,15)16)5-9(8)18-11/h3-5H,6H2,1-2H3,(H,12,13,14)
InChIKeyZBSOCUBDZWTLSZ-UHFFFAOYSA-N
XLogP1.28
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Benzothiazolamine, 6-(methylsulfonyl)-
CID 87152
N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
CID 541218
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 1225609
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 2931603
Acetamide, N-2-benzothiazolyl-
CID 350459
N-[6-(methylsulfonyl)benzothiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1271512
N-(2-fluorophenyl)-N'-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea
CID 2242090
N-(1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 2314694
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 4880510
N-1,3-benzothiazol-2-yl-2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135460593

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (CID 650640) is 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is COCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZBSOCUBDZWTLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c1-17-6-10(14)13-11-12-8-4-3-7(19(2,15)16)5-9(8)18-11/h3-5H,6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 650640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).