N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C16H16N4O2S — CID 687569

IUPACN-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCC(=NNC(=O)CSc1nc2ccccc2n1C)c1ccco1
InChIInChI=1S/C16H16N4O2S/c1-11(14-8-5-9-22-14)18-19-15(21)10-23-16-17-12-6-3-4-7-13(12)20(16)2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyRDDUREABGITKAC-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 687569) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID687569
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCC(=NNC(=O)CSc1nc2ccccc2n1C)c1ccco1
InChIInChI=1S/C16H16N4O2S/c1-11(14-8-5-9-22-14)18-19-15(21)10-23-16-17-12-6-3-4-7-13(12)20(16)2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyRDDUREABGITKAC-UHFFFAOYSA-N
XLogP2.80
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5344545
N-[1-(2-chlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 3819255
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5344429
3-carbazol-9-yl-N-[1-(furan-2-yl)ethylideneamino]propanamide
CID 742193
2-(benzimidazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17424889
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6375246
N-[(4-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354657
N-[1-(furan-2-yl)ethylideneamino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3810530
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 687569) is N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is CC(=NNC(=O)CSc1nc2ccccc2n1C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is RDDUREABGITKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11(14-8-5-9-22-14)18-19-15(21)10-23-16-17-12-6-3-4-7-13(12)20(16)2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 328.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 687569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).