[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

C20H26N4O4S — CID 55615893

IUPAC[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1ccnc1SCc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1
InChIInChI=1S/C20H26N4O4S/c1-22-8-6-21-20(22)29-14-16-4-5-17(28-16)19(26)24-7-2-3-15(13-24)18(25)23-9-11-27-12-10-23/h4-6,8,15H,2-3,7,9-14H2,1H3
InChIKeyWFSUWXFLUQQBSO-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.02
Rot. Bonds5

About [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 55615893) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID55615893
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1ccnc1SCc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1
InChIInChI=1S/C20H26N4O4S/c1-22-8-6-21-20(22)29-14-16-4-5-17(28-16)19(26)24-7-2-3-15(13-24)18(25)23-9-11-27-12-10-23/h4-6,8,15H,2-3,7,9-14H2,1H3
InChIKeyWFSUWXFLUQQBSO-UHFFFAOYSA-N
XLogP2.02
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone 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

[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 124690767
(4-aminopiperidin-1-yl)-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone;dihydrochloride
CID 119373580
[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
CID 97023508
[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55977004
(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone
CID 96578185
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 166189885
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 120742864
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 55616317
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119589563

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 55615893) is [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is Cn1ccnc1SCc1ccc(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)o1.
What is the InChIKey of [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WFSUWXFLUQQBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-22-8-6-21-20(22)29-14-16-4-5-17(28-16)19(26)24-7-2-3-15(13-24)18(25)23-9-11-27-12-10-23/h4-6,8,15H,2-3,7,9-14H2,1H3.
What are the key properties of [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 418.52 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55615893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).