3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C17H16N2O4S2 — CID 7578979

IUPAC3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C17H16N2O4S2/c1-3-25(21,22)13-6-4-5-11(9-13)16(20)19-17-18-14-8-7-12(23-2)10-15(14)24-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyICYZHYUBFDLJMY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.35
Rot. Bonds5

About 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7578979) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID7578979
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C17H16N2O4S2/c1-3-25(21,22)13-6-4-5-11(9-13)16(20)19-17-18-14-8-7-12(23-2)10-15(14)24-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyICYZHYUBFDLJMY-UHFFFAOYSA-N
XLogP3.35
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide
CID 7578996
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17473219
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide
CID 3390334
3-(2-iodophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87394940
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 7578979) is 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is CCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(OC)cc3s2)c1.
What is the InChIKey of 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ICYZHYUBFDLJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-3-25(21,22)13-6-4-5-11(9-13)16(20)19-17-18-14-8-7-12(23-2)10-15(14)24-17/h4-10H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7578979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).