2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide

C19H19N3O4S — CID 166201690

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)NCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H19N3O4S/c23-18(12-27-13-5-6-16-17(11-13)26-10-9-25-16)20-7-8-22-15-4-2-1-3-14(15)21-19(22)24/h1-6,11H,7-10,12H2,(H,20,23)(H,21,24)
InChIKeyRRSWOIFOBXNMOV-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.01
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide (PubChem CID 166201690) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
PubChem CID166201690
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)NCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H19N3O4S/c23-18(12-27-13-5-6-16-17(11-13)26-10-9-25-16)20-7-8-22-15-4-2-1-3-14(15)21-19(22)24/h1-6,11H,7-10,12H2,(H,20,23)(H,21,24)
InChIKeyRRSWOIFOBXNMOV-UHFFFAOYSA-N
XLogP2.01
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
3-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]propyl]-1H-benzimidazol-2-one
CID 166198304
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
CID 110610902
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110400819
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
CID 55717378
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110400789
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 2606684
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(1H-indol-3-yl)ethanone
CID 2606708
2-(dimethylamino)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110610901
N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide
CID 17454038
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(methylcarbamoyl)acetamide
CID 7457809
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2708596

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide (CID 166201690) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide is O=C(CSc1ccc2c(c1)OCCO2)NCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide?
The InChIKey is RRSWOIFOBXNMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-18(12-27-13-5-6-16-17(11-13)26-10-9-25-16)20-7-8-22-15-4-2-1-3-14(15)21-19(22)24/h1-6,11H,7-10,12H2,(H,20,23)(H,21,24).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide has a molecular weight of 385.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 166201690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).