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

C17H16N2O4S2 — CID 1094088

IUPAC2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O4S2/c1-23-13-7-8-14-15(9-13)24-17(18-14)19-16(20)11-25(21,22)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19,20)
InChIKeyCUQTWNSGLGXHAN-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.86
Rot. Bonds6

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

2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1094088) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID1094088
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O4S2/c1-23-13-7-8-14-15(9-13)24-17(18-14)19-16(20)11-25(21,22)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19,20)
InChIKeyCUQTWNSGLGXHAN-UHFFFAOYSA-N
XLogP2.86
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Frentizole
CID 33334
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155264
methyl N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}carbamate
CID 10279624
1-Cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
CID 750421
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 1094088) is 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2c1.
What is the InChIKey of 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is CUQTWNSGLGXHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-23-13-7-8-14-15(9-13)24-17(18-14)19-16(20)11-25(21,22)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19,20).
What are the key properties of 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1094088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).