N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide

C17H17N3O4S2 — CID 100527183

IUPACN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide
SMILESCn1c(=O)sc2cc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)ccc21
InChIInChI=1S/C17H17N3O4S2/c1-19-14-9-8-12(10-15(14)25-17(19)22)18-16(21)11-20(26(2,23)24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyVVWGAXKAFVYTBL-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.00
Rot. Bonds5

About N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 100527183) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID100527183
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide
SMILESCn1c(=O)sc2cc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)ccc21
InChIInChI=1S/C17H17N3O4S2/c1-19-14-9-8-12(10-15(14)25-17(19)22)18-16(21)11-20(26(2,23)24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyVVWGAXKAFVYTBL-UHFFFAOYSA-N
XLogP2.00
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100527490
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100531798
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100526272
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100526244
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100526487
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100536181
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100526921
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100552758
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100530580
2-(2-chloro-N-methylsulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100539001
2-(2-bromo-N-methylsulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100539332
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100539454

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide (CID 100527183) is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide is Cn1c(=O)sc2cc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)ccc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is VVWGAXKAFVYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-19-14-9-8-12(10-15(14)25-17(19)22)18-16(21)11-20(26(2,23)24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide?
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 100527183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).