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

C17H14N2O2S2 — CID 687281

IUPACN-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H14N2O2S2/c1-11(20)12-6-8-13(9-7-12)18-16(21)10-22-17-19-14-4-2-3-5-15(14)23-17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyQCYWYEQBHUMGAG-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.23
Rot. Bonds5

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

N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide (PubChem CID 687281) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
PubChem CID687281
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC NameN-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H14N2O2S2/c1-11(20)12-6-8-13(9-7-12)18-16(21)10-22-17-19-14-4-2-3-5-15(14)23-17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyQCYWYEQBHUMGAG-UHFFFAOYSA-N
XLogP4.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
N-(4-acetylphenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 5302036
N-[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide
CID 1135122
N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]phenyl]propanamide
CID 7465319
pentyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoate
CID 39757179
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-butoxyphenyl)acetamide
CID 3108323
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 742353
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55843004
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 9458877
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2621082
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 43853404
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2570567

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide (CID 687281) is N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide is CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The InChIKey is QCYWYEQBHUMGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-11(20)12-6-8-13(9-7-12)18-16(21)10-22-17-19-14-4-2-3-5-15(14)23-17/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide has a molecular weight of 342.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 687281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).