[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone

C20H27N3O4S2 — CID 86896652

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(Cc4ccco4)CC3)s2)CC1
InChIInChI=1S/C20H27N3O4S2/c1-16-6-8-23(9-7-16)29(25,26)19-5-4-18(28-19)20(24)22-12-10-21(11-13-22)15-17-3-2-14-27-17/h2-5,14,16H,6-13,15H2,1H3
InChIKeyMFYMKBWEKSNNGD-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.72
Rot. Bonds5

About [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone

[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone (PubChem CID 86896652) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
PubChem CID86896652
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(Cc4ccco4)CC3)s2)CC1
InChIInChI=1S/C20H27N3O4S2/c1-16-6-8-23(9-7-16)29(25,26)19-5-4-18(28-19)20(24)22-12-10-21(11-13-22)15-17-3-2-14-27-17/h2-5,14,16H,6-13,15H2,1H3
InChIKeyMFYMKBWEKSNNGD-UHFFFAOYSA-N
XLogP2.72
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone with MolForge

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Related Compounds

[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 120656340
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 119409564
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone;hydrochloride
CID 119409563
[2-(aminomethyl)pyrrolidin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone
CID 119631204
[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 86873761
(4-benzylpiperazin-1-yl)-[3-bromo-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 4000795
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 17249357
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 38797770
N-[(2S)-1-aminopropan-2-yl]-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 120506435
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154835228
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone (CID 86896652) is [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone is CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(Cc4ccco4)CC3)s2)CC1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone?
The InChIKey is MFYMKBWEKSNNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-16-6-8-23(9-7-16)29(25,26)19-5-4-18(28-19)20(24)22-12-10-21(11-13-22)15-17-3-2-14-27-17/h2-5,14,16H,6-13,15H2,1H3.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone has a molecular weight of 437.59 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanone is sourced from PubChem (CID 86896652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).