N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide

C19H20N2O3S2 — CID 18587080

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCc1cccc2sc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)nc12
InChIInChI=1S/C19H20N2O3S2/c1-3-14-6-5-7-16-18(14)21-19(25-16)20-17(22)12-13-8-10-15(11-9-13)26(23,24)4-2/h5-11H,3-4,12H2,1-2H3,(H,20,21,22)
InChIKeyLPEIXHUHDLNEEF-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.83
Rot. Bonds6

About N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 18587080) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID18587080
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCc1cccc2sc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)nc12
InChIInChI=1S/C19H20N2O3S2/c1-3-14-6-5-7-16-18(14)21-19(25-16)20-17(22)12-13-8-10-15(11-9-13)26(23,24)4-2/h5-11H,3-4,12H2,1-2H3,(H,20,21,22)
InChIKeyLPEIXHUHDLNEEF-UHFFFAOYSA-N
XLogP3.83
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41145754
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145741
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18587083
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41146462
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 41145749
2-(4-ethylsulfonylphenyl)-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CID 16850583
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41145905
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41145800
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
4-[benzyl(methyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41235454

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide (CID 18587080) is N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide is CCc1cccc2sc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)nc12.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is LPEIXHUHDLNEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-3-14-6-5-7-16-18(14)21-19(25-16)20-17(22)12-13-8-10-15(11-9-13)26(23,24)4-2/h5-11H,3-4,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 18587080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).