2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide

C16H14N2O3S3 — CID 7615136

IUPAC2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
SMILESCSc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C16H14N2O3S3/c1-22-11-7-8-13-14(9-11)23-16(17-13)18-15(19)10-24(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyAXIYGWJSDUQIDD-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.43
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide

2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7615136) has the molecular formula C16H14N2O3S3 and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID7615136
Molecular FormulaC16H14N2O3S3
Molecular Weight378.50 g/mol
Exact Mass378.02
IUPAC Name2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
SMILESCSc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C16H14N2O3S3/c1-22-11-7-8-13-14(9-11)23-16(17-13)18-15(19)10-24(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyAXIYGWJSDUQIDD-UHFFFAOYSA-N
XLogP3.43
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 7544410
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615141
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7254203
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340187
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7543712
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 41320931
2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615157
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 16823694
ethyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41151824
ethyl 2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41151414

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide (CID 7615136) is 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide is CSc1ccc2nc(NC(=O)CS(=O)(=O)c3ccccc3)sc2c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is AXIYGWJSDUQIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S3/c1-22-11-7-8-13-14(9-11)23-16(17-13)18-15(19)10-24(20,21)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7615136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).