N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide

C18H20N2O4S2 — CID 100548336

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCCn1c(=O)sc2cc(NS(=O)(=O)c3cc(C)c(OC)cc3C)ccc21
InChIInChI=1S/C18H20N2O4S2/c1-5-20-14-7-6-13(10-16(14)25-18(20)21)19-26(22,23)17-9-11(2)15(24-4)8-12(17)3/h6-10,19H,5H2,1-4H3
InChIKeyZOHQZEKWMUVYBB-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.51
Rot. Bonds5

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 100548336) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID100548336
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCCn1c(=O)sc2cc(NS(=O)(=O)c3cc(C)c(OC)cc3C)ccc21
InChIInChI=1S/C18H20N2O4S2/c1-5-20-14-7-6-13(10-16(14)25-18(20)21)19-26(22,23)17-9-11(2)15(24-4)8-12(17)3/h6-10,19H,5H2,1-4H3
InChIKeyZOHQZEKWMUVYBB-UHFFFAOYSA-N
XLogP3.51
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 100536303
5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
CID 50800114
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 50744059
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-iodo-4-methoxybenzenesulfonamide
CID 100540988
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2,4,6-trimethylbenzenesulfonamide
CID 50800094
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methyl-5-nitrobenzenesulfonamide
CID 100542346
3-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxybenzenesulfonamide
CID 100548267
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)methanesulfonamide
CID 100540910
2,5-dimethoxy-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 50800156
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 50744070
4-methoxy-2-methyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-5-propan-2-ylbenzenesulfonamide
CID 100560748
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 15990432

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 100548336) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide is CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(C)c(OC)cc3C)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZOHQZEKWMUVYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-5-20-14-7-6-13(10-16(14)25-18(20)21)19-26(22,23)17-9-11(2)15(24-4)8-12(17)3/h6-10,19H,5H2,1-4H3.
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 100548336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).