[5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol

C24H24FNO2S2 — CID 46017550

IUPAC[5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
SMILESCC(C)N(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1F
InChIInChI=1S/C24H24FNO2S2/c1-17(2)26(15-18-7-3-4-8-20(18)25)16-19-11-12-21(28-19)24(27,22-9-5-13-29-22)23-10-6-14-30-23/h3-14,17,27H,15-16H2,1-2H3
InChIKeyADPZGKUJXPWBPB-UHFFFAOYSA-N
MW441.59 g/mol
LogP6.24
Rot. Bonds8

About [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol

[5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol (PubChem CID 46017550) has the molecular formula C24H24FNO2S2 and a molecular weight of 441.59 g/mol. Its IUPAC name is [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol.

Molecular Properties

Compound Name[5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
PubChem CID46017550
Molecular FormulaC24H24FNO2S2
Molecular Weight441.59 g/mol
Exact Mass441.12
IUPAC Name[5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
SMILESCC(C)N(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1F
InChIInChI=1S/C24H24FNO2S2/c1-17(2)26(15-18-7-3-4-8-20(18)25)16-19-11-12-21(28-19)24(27,22-9-5-13-29-22)23-10-6-14-30-23/h3-14,17,27H,15-16H2,1-2H3
InChIKeyADPZGKUJXPWBPB-UHFFFAOYSA-N
XLogP6.24
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.59
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[(5-methylfuran-2-yl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017624
3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
CID 42839275
5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42750686
[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]-dithiophen-2-ylmethanol
CID 46017637
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
4-[5-[[butan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 46015945
[5-[[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46015495
2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol
CID 42839404
3-[5-[[(2-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839287
bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol
CID 46017661
5-[5-[[[(2S)-butan-2-yl]-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93187587

Frequently Asked Questions

What is the IUPAC name of [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol?
The IUPAC name of [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol (CID 46017550) is [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol.
What is the SMILES notation for [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol?
The canonical SMILES for [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol is CC(C)N(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1F.
What is the InChIKey of [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol?
The InChIKey is ADPZGKUJXPWBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2S2/c1-17(2)26(15-18-7-3-4-8-20(18)25)16-19-11-12-21(28-19)24(27,22-9-5-13-29-22)23-10-6-14-30-23/h3-14,17,27H,15-16H2,1-2H3.
What are the key properties of [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol?
[5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol has a molecular weight of 441.59 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-dithiophen-2-ylmethanol is sourced from PubChem (CID 46017550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).