2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C18H18N2O2S2 — CID 9428028

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-3-22-14-5-7-15(8-6-14)23-11-18(21)20-13-4-9-16-17(10-13)24-12(2)19-16/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyHBTVQADXMLYBBU-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.73
Rot. Bonds6

About 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 9428028) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID9428028
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-3-22-14-5-7-15(8-6-14)23-11-18(21)20-13-4-9-16-17(10-13)24-12(2)19-16/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyHBTVQADXMLYBBU-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 1321404
N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712680
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-(4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3657089
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-(3-chloro-4-fluorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 1379221
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3994330
2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 48671829

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 9428028) is 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is CCOc1ccc(SCC(=O)Nc2ccc3nc(C)sc3c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is HBTVQADXMLYBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-3-22-14-5-7-15(8-6-14)23-11-18(21)20-13-4-9-16-17(10-13)24-12(2)19-16/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 9428028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).