2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide

C17H18N2O4S2 — CID 56764872

IUPAC2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-12-18-16-11-13(3-8-17(16)24-12)19-25(20,21)10-9-23-15-6-4-14(22-2)5-7-15/h3-8,11,19H,9-10H2,1-2H3
InChIKeyABCBPPGGQNNAOT-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.43
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide

2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide (PubChem CID 56764872) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide
PubChem CID56764872
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-12-18-16-11-13(3-8-17(16)24-12)19-25(20,21)10-9-23-15-6-4-14(22-2)5-7-15/h3-8,11,19H,9-10H2,1-2H3
InChIKeyABCBPPGGQNNAOT-UHFFFAOYSA-N
XLogP3.43
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1,3-benzothiazol-5-yl)dodecane-1-sulfonamide
CID 59079299
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-(4-methoxyphenoxy)-N-(3-methyl-2-pyridinyl)ethanesulfonamide
CID 90518353
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 90518474
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907
2,4,6-trichloro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 10409141
2,5-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 852255
2-[2-(4-methoxyphenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90518455

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide (CID 56764872) is 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide is COc1ccc(OCCS(=O)(=O)Nc2ccc3sc(C)nc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide?
The InChIKey is ABCBPPGGQNNAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-12-18-16-11-13(3-8-17(16)24-12)19-25(20,21)10-9-23-15-6-4-14(22-2)5-7-15/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide?
2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide is sourced from PubChem (CID 56764872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).