N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide

C13H17N3O5S2 — CID 43980536

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCOc1cc2nc(NC(=O)CN(C)S(C)(=O)=O)sc2cc1OC
InChIInChI=1S/C13H17N3O5S2/c1-16(23(4,18)19)7-12(17)15-13-14-8-5-9(20-2)10(21-3)6-11(8)22-13/h5-6H,7H2,1-4H3,(H,14,15,17)
InChIKeyYTAOYBJNNKWRBW-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.14
Rot. Bonds6

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 43980536) has the molecular formula C13H17N3O5S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID43980536
Molecular FormulaC13H17N3O5S2
Molecular Weight359.43 g/mol
Exact Mass359.06
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCOc1cc2nc(NC(=O)CN(C)S(C)(=O)=O)sc2cc1OC
InChIInChI=1S/C13H17N3O5S2/c1-16(23(4,18)19)7-12(17)15-13-14-8-5-9(20-2)10(21-3)6-11(8)22-13/h5-6H,7H2,1-4H3,(H,14,15,17)
InChIKeyYTAOYBJNNKWRBW-UHFFFAOYSA-N
XLogP1.14
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43952248
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7543023
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 22430630
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7295315
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 31287787
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993377
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 122655414
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 953037
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 24600021
2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 30863551

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide (CID 43980536) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide is COc1cc2nc(NC(=O)CN(C)S(C)(=O)=O)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is YTAOYBJNNKWRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S2/c1-16(23(4,18)19)7-12(17)15-13-14-8-5-9(20-2)10(21-3)6-11(8)22-13/h5-6H,7H2,1-4H3,(H,14,15,17).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 43980536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).