N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

C19H20N2O2S2 — CID 100537432

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCn1c(=O)sc2cc(NC(=O)CSCc3ccc(C)cc3)ccc21
InChIInChI=1S/C19H20N2O2S2/c1-3-21-16-9-8-15(10-17(16)25-19(21)23)20-18(22)12-24-11-14-6-4-13(2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyVZDULQTXBFLLMY-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.26
Rot. Bonds6

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 100537432) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID100537432
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCn1c(=O)sc2cc(NC(=O)CSCc3ccc(C)cc3)ccc21
InChIInChI=1S/C19H20N2O2S2/c1-3-21-16-9-8-15(10-17(16)25-19(21)23)20-18(22)12-24-11-14-6-4-13(2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyVZDULQTXBFLLMY-UHFFFAOYSA-N
XLogP4.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100547326
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100537338
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100537743
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 100545172
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 100535339
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 100545043
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)propanamide
CID 100543193
2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100549925
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
3-(1,3-benzodioxol-5-yl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100547267
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 22577350

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 100537432) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is CCn1c(=O)sc2cc(NC(=O)CSCc3ccc(C)cc3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is VZDULQTXBFLLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-3-21-16-9-8-15(10-17(16)25-19(21)23)20-18(22)12-24-11-14-6-4-13(2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 372.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 100537432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).