2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

C17H16N2O4S2 — CID 2219317

IUPAC2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O4S2/c1-2-23-12-8-9-14-15(10-12)24-17(18-14)19-16(20)11-25(21,22)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,18,19,20)
InChIKeyQFINUVNBGSTCCE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.11
Rot. Bonds6

About 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2219317) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID2219317
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O4S2/c1-2-23-12-8-9-14-15(10-12)24-17(18-14)19-16(20)11-25(21,22)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,18,19,20)
InChIKeyQFINUVNBGSTCCE-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Frentizole
CID 33334
Tioxidazole
CID 72157
Amino-6-ethoxybenzothiazole, 2-
CID 7192
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996
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
2,2-dibromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylcyclopropanecarboxamide
CID 4171316
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 8895574
N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 220926

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 2219317) is 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QFINUVNBGSTCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-2-23-12-8-9-14-15(10-12)24-17(18-14)19-16(20)11-25(21,22)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,18,19,20).
What are the key properties of 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2219317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).