2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide

C17H16N2O2S2 — CID 4041341

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C17H16N2O2S2/c1-11-9-12(21-2)7-8-13(11)18-16(20)10-22-17-19-14-5-3-4-6-15(14)23-17/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyMJKHDIUZCPCJMU-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.34
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 4041341) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID4041341
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C17H16N2O2S2/c1-11-9-12(21-2)7-8-13(11)18-16(20)10-22-17-19-14-5-3-4-6-15(14)23-17/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyMJKHDIUZCPCJMU-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1238182
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024521
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 4045804
1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea
CID 17375029
N-[5-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 121029798
N-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(2-methylphenoxy)acetamide
CID 23613194
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-bromo-4-methoxyphenyl)acetamide
CID 3588623
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide
CID 39929865
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-butoxyphenyl)acetamide
CID 3108323
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438320
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 9458877

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide (CID 4041341) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3ccccc3s2)c(C)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is MJKHDIUZCPCJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-11-9-12(21-2)7-8-13(11)18-16(20)10-22-17-19-14-5-3-4-6-15(14)23-17/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 4041341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).