[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol

C24H27NO3S2 — CID 46017624

IUPAC[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
SMILESCc1ccc(CN(Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)CC(C)C)o1
InChIInChI=1S/C24H27NO3S2/c1-17(2)14-25(15-19-9-8-18(3)27-19)16-20-10-11-21(28-20)24(26,22-6-4-12-29-22)23-7-5-13-30-23/h4-13,17,26H,14-16H2,1-3H3
InChIKeyRLUVNNNXULFFEQ-UHFFFAOYSA-N
MW441.62 g/mol
LogP6.25
Rot. Bonds9

About [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol

[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol (PubChem CID 46017624) has the molecular formula C24H27NO3S2 and a molecular weight of 441.62 g/mol. Its IUPAC name is [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol.

Molecular Properties

Compound Name[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
PubChem CID46017624
Molecular FormulaC24H27NO3S2
Molecular Weight441.62 g/mol
Exact Mass441.14
IUPAC Name[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
SMILESCc1ccc(CN(Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)CC(C)C)o1
InChIInChI=1S/C24H27NO3S2/c1-17(2)14-25(15-19-9-8-18(3)27-19)16-20-10-11-21(28-20)24(26,22-6-4-12-29-22)23-7-5-13-30-23/h4-13,17,26H,14-16H2,1-3H3
InChIKeyRLUVNNNXULFFEQ-UHFFFAOYSA-N
XLogP6.25
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol with MolForge

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Related Compounds

[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017637
2,4-dimethyl-3-[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]penta-1,4-dien-3-ol
CID 42839317
[5-[[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46015495
[5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017550
[5-[[(3-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017728
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
CID 42839275
[5-[[cyclopropyl-[(2,3-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017597
3-[5-[[(3-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839367
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115286690
4-[5-[[butan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 46015945
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161816

Frequently Asked Questions

What is the IUPAC name of [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol?
The IUPAC name of [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol (CID 46017624) is [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol.
What is the SMILES notation for [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol?
The canonical SMILES for [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol is Cc1ccc(CN(Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)CC(C)C)o1.
What is the InChIKey of [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol?
The InChIKey is RLUVNNNXULFFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3S2/c1-17(2)14-25(15-19-9-8-18(3)27-19)16-20-10-11-21(28-20)24(26,22-6-4-12-29-22)23-7-5-13-30-23/h4-13,17,26H,14-16H2,1-3H3.
What are the key properties of [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol?
[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol has a molecular weight of 441.62 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol is sourced from PubChem (CID 46017624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).