furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone

C23H26N2O3S — CID 19865875

IUPACfuran-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone
SMILESCSc1ccc2cc(C(O)C(C)N3CCN(C(=O)c4ccco4)CC3)ccc2c1
InChIInChI=1S/C23H26N2O3S/c1-16(24-9-11-25(12-10-24)23(27)21-4-3-13-28-21)22(26)19-6-5-18-15-20(29-2)8-7-17(18)14-19/h3-8,13-16,22,26H,9-12H2,1-2H3
InChIKeyKJEOOUWUDCGZSR-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.03
Rot. Bonds5

About furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone (PubChem CID 19865875) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone
PubChem CID19865875
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Namefuran-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone
SMILESCSc1ccc2cc(C(O)C(C)N3CCN(C(=O)c4ccco4)CC3)ccc2c1
InChIInChI=1S/C23H26N2O3S/c1-16(24-9-11-25(12-10-24)23(27)21-4-3-13-28-21)22(26)19-6-5-18-15-20(29-2)8-7-17(18)14-19/h3-8,13-16,22,26H,9-12H2,1-2H3
InChIKeyKJEOOUWUDCGZSR-UHFFFAOYSA-N
XLogP4.03
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2R)-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-methylsulfanylphenyl)acetic acid
CID 97187491
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-methylsulfanylphenyl)acetic acid
CID 72841169
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
[4-(furan-2-carbonyl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 55833595
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012
methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
CID 43063623

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone (CID 19865875) is furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone is CSc1ccc2cc(C(O)C(C)N3CCN(C(=O)c4ccco4)CC3)ccc2c1.
What is the InChIKey of furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone?
The InChIKey is KJEOOUWUDCGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16(24-9-11-25(12-10-24)23(27)21-4-3-13-28-21)22(26)19-6-5-18-15-20(29-2)8-7-17(18)14-19/h3-8,13-16,22,26H,9-12H2,1-2H3.
What are the key properties of furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone has a molecular weight of 410.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[1-hydroxy-1-(6-methylsulfanylnaphthalen-2-yl)propan-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 19865875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).