2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide

C23H23N3O3S — CID 23743126

IUPAC2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide
SMILESCCC(Sc1nc(-c2ccco2)c(-c2ccco2)[nH]1)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C23H23N3O3S/c1-4-19(22(27)24-16-10-9-14(2)15(3)13-16)30-23-25-20(17-7-5-11-28-17)21(26-23)18-8-6-12-29-18/h5-13,19H,4H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyHWDOUAGRGLLHQP-UHFFFAOYSA-N
MW421.52 g/mol
LogP6.06
Rot. Bonds7

About 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide

2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide (PubChem CID 23743126) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide
PubChem CID23743126
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide
SMILESCCC(Sc1nc(-c2ccco2)c(-c2ccco2)[nH]1)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C23H23N3O3S/c1-4-19(22(27)24-16-10-9-14(2)15(3)13-16)30-23-25-20(17-7-5-11-28-17)21(26-23)18-8-6-12-29-18/h5-13,19H,4H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyHWDOUAGRGLLHQP-UHFFFAOYSA-N
XLogP6.06
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide with MolForge

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Related Compounds

4-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]butanoylamino]benzoic acid
CID 23998139
2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 23830254
4-[2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23998325
2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-1-phenothiazin-10-ylbutan-1-one
CID 23773390
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methylphenyl)butanamide
CID 23772265
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)butanamide
CID 23743056
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23775116
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide
CID 42739472
N-(1,3-benzodioxol-5-yl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]butanamide
CID 23970318
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136686169
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886331

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide?
The IUPAC name of 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide (CID 23743126) is 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide is CCC(Sc1nc(-c2ccco2)c(-c2ccco2)[nH]1)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide?
The InChIKey is HWDOUAGRGLLHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-4-19(22(27)24-16-10-9-14(2)15(3)13-16)30-23-25-20(17-7-5-11-28-17)21(26-23)18-8-6-12-29-18/h5-13,19H,4H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide?
2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide has a molecular weight of 421.52 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 23743126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).