2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C22H25N3O2S — CID 8756076

IUPAC2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H25N3O2S/c26-21(25-12-10-24(11-13-25)17-19-8-5-15-28-19)16-23-22(20-9-4-14-27-20)18-6-2-1-3-7-18/h1-9,14-15,22-23H,10-13,16-17H2/t22-/m0/s1
InChIKeyRIJAVXULKVAOLR-QFIPXVFZSA-N
MW395.53 g/mol
LogP3.36
Rot. Bonds7

About 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 8756076) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID8756076
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CN[C@@H](c1ccccc1)c1ccco1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H25N3O2S/c26-21(25-12-10-24(11-13-25)17-19-8-5-15-28-19)16-23-22(20-9-4-14-27-20)18-6-2-1-3-7-18/h1-9,14-15,22-23H,10-13,16-17H2/t22-/m0/s1
InChIKeyRIJAVXULKVAOLR-QFIPXVFZSA-N
XLogP3.36
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8864417
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8868503
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8756296
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
2-(butan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671567
3-amino-3-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 119952779
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 55345495
2-amino-2-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 119834072
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethanone
CID 31489552
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
2-(2-chlorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709213

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 8756076) is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is O=C(CN[C@@H](c1ccccc1)c1ccco1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is RIJAVXULKVAOLR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-21(25-12-10-24(11-13-25)17-19-8-5-15-28-19)16-23-22(20-9-4-14-27-20)18-6-2-1-3-7-18/h1-9,14-15,22-23H,10-13,16-17H2/t22-/m0/s1.
What are the key properties of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 395.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 8756076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).