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

C17H16N2O3S2 — CID 1094089

IUPAC2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O3S2/c1-12-7-8-14-15(9-12)23-17(18-14)19-16(20)11-24(21,22)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,19,20)
InChIKeyHEVFWTXZIHTSCZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.16
Rot. Bonds5

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

2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 1094089) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID1094089
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC Name2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O3S2/c1-12-7-8-14-15(9-12)23-17(18-14)19-16(20)11-24(21,22)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,19,20)
InChIKeyHEVFWTXZIHTSCZ-UHFFFAOYSA-N
XLogP3.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
CID 541218
N-2-Benzothiazolylbenzeneacetamide
CID 591403
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
Iwp-2
CID 2155128
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930
N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 640711
Benzothiazol-2-yl-o-tolyl-amine
CID 2360617
N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
CID 403571
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 1094089) is 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)CS(=O)(=O)Cc3ccccc3)sc2c1.
What is the InChIKey of 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HEVFWTXZIHTSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-12-7-8-14-15(9-12)23-17(18-14)19-16(20)11-24(21,22)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,19,20).
What are the key properties of 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1094089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).