4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

C17H17N3O4S2 — CID 100528512

IUPAC4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H17N3O4S2/c1-19-14-9-6-12(10-15(14)25-17(19)22)18-16(21)11-4-7-13(8-5-11)20(2)26(3,23)24/h4-10H,1-3H3,(H,18,21)
InChIKeyVMOXJGWQGLOVJA-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.25
Rot. Bonds4

About 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100528512) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
PubChem CID100528512
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H17N3O4S2/c1-19-14-9-6-12(10-15(14)25-17(19)22)18-16(21)11-4-7-13(8-5-11)20(2)26(3,23)24/h4-10H,1-3H3,(H,18,21)
InChIKeyVMOXJGWQGLOVJA-UHFFFAOYSA-N
XLogP2.25
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[ethylsulfonyl(methyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100553547
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46352398
4-[benzenesulfonyl(methyl)amino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100539664
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100540586
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide
CID 100527183
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 100542916
(2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 100536138
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100552032
4-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 100529582
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 100540127
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100530253

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (CID 100528512) is 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is CN(c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is VMOXJGWQGLOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-19-14-9-6-12(10-15(14)25-17(19)22)18-16(21)11-4-7-13(8-5-11)20(2)26(3,23)24/h4-10H,1-3H3,(H,18,21).
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100528512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).