N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide

C19H20N2O4S2 — CID 1190284

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1
InChIInChI=1S/C19H20N2O4S2/c1-3-4-13-5-7-14(8-6-13)25-12-18(22)21-19-20-16-10-9-15(27(2,23)24)11-17(16)26-19/h5-11H,3-4,12H2,1-2H3,(H,20,21,22)
InChIKeyYWNJYOGCAMDQQM-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.67
Rot. Bonds7

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide (PubChem CID 1190284) has the molecular formula C19H20N2O4S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
PubChem CID1190284
Molecular FormulaC19H20N2O4S2
Molecular Weight404.51 g/mol
Exact Mass404.09
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1
InChIInChI=1S/C19H20N2O4S2/c1-3-4-13-5-7-14(8-6-13)25-12-18(22)21-19-20-16-10-9-15(27(2,23)24)11-17(16)26-19/h5-11H,3-4,12H2,1-2H3,(H,20,21,22)
InChIKeyYWNJYOGCAMDQQM-UHFFFAOYSA-N
XLogP3.67
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1075302
2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 19174332
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
CID 4674921
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 53269191
2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214311
N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 5166243
2-(5-methyl-2-propan-2-ylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 1075300

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide (CID 1190284) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide?
The InChIKey is YWNJYOGCAMDQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S2/c1-3-4-13-5-7-14(8-6-13)25-12-18(22)21-19-20-16-10-9-15(27(2,23)24)11-17(16)26-19/h5-11H,3-4,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 1190284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).