N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide

C18H18N2O2S2 — CID 100537338

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCCn1c(=O)sc2cc(NC(=O)CSc3ccc(C)cc3)ccc21
InChIInChI=1S/C18H18N2O2S2/c1-3-20-15-9-6-13(10-16(15)24-18(20)22)19-17(21)11-23-14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyCZWUGDKPCGTXTR-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.12
Rot. Bonds5

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 100537338) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID100537338
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCCn1c(=O)sc2cc(NC(=O)CSc3ccc(C)cc3)ccc21
InChIInChI=1S/C18H18N2O2S2/c1-3-20-15-9-6-13(10-16(15)24-18(20)22)19-17(21)11-23-14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyCZWUGDKPCGTXTR-UHFFFAOYSA-N
XLogP4.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100525689
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 100537432
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 100539561
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)propanamide
CID 100543193
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)-2-methylpropanamide
CID 22577353
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)-3-(4-ethylphenyl)propanamide
CID 100545172
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-(2-methylphenoxy)acetamide
CID 22577350
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 100543692
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100538732

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide (CID 100537338) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide is CCn1c(=O)sc2cc(NC(=O)CSc3ccc(C)cc3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is CZWUGDKPCGTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-3-20-15-9-6-13(10-16(15)24-18(20)22)19-17(21)11-23-14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 358.49 g/mol, XLogP of 4.12, 5 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)sulfanylacetamide is sourced from PubChem (CID 100537338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).