2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C17H17N3O4S2 — CID 2453397

IUPAC2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)sc2c1
InChIInChI=1S/C17H17N3O4S2/c1-2-23-11-5-6-13-14(8-11)26-17(19-13)25-10-15(21)20-16(22)18-9-12-4-3-7-24-12/h3-8H,2,9-10H2,1H3,(H2,18,20,21,22)
InChIKeyOPIYGEOPRPAEHO-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.41
Rot. Bonds7

About 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2453397) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2453397
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)sc2c1
InChIInChI=1S/C17H17N3O4S2/c1-2-23-11-5-6-13-14(8-11)26-17(19-13)25-10-15(21)20-16(22)18-9-12-4-3-7-24-12/h3-8H,2,9-10H2,1H3,(H2,18,20,21,22)
InChIKeyOPIYGEOPRPAEHO-UHFFFAOYSA-N
XLogP3.41
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide
CID 647591
N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
CID 875146
N-(2-furylmethyl)-N'-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 972621
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide
CID 2088481
2-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2348019
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2348061
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2542664

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2453397) is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is CCOc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)sc2c1.
What is the InChIKey of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is OPIYGEOPRPAEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-2-23-11-5-6-13-14(8-11)26-17(19-13)25-10-15(21)20-16(22)18-9-12-4-3-7-24-12/h3-8H,2,9-10H2,1H3,(H2,18,20,21,22).
What are the key properties of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2453397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).