N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide

C20H24N2O5S2 — CID 42557854

IUPACN-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)o1
InChIInChI=1S/C20H24N2O5S2/c1-20(2,24)10-9-16-7-8-17(27-16)19(23)22-11-3-5-15(14-22)13-21-29(25,26)18-6-4-12-28-18/h4,6-8,12,15,21,24H,3,5,11,13-14H2,1-2H3/t15-/m0/s1
InChIKeyVPXLYCDQZHKCFN-HNNXBMFYSA-N
MW436.56 g/mol
LogP2.29
Rot. Bonds5

About N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 42557854) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID42557854
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC NameN-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)o1
InChIInChI=1S/C20H24N2O5S2/c1-20(2,24)10-9-16-7-8-17(27-16)19(23)22-11-3-5-15(14-22)13-21-29(25,26)18-6-4-12-28-18/h4,6-8,12,15,21,24H,3,5,11,13-14H2,1-2H3/t15-/m0/s1
InChIKeyVPXLYCDQZHKCFN-HNNXBMFYSA-N
XLogP2.29
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide 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

N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42475731
N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45252310
[1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 91837500
N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 25489580
4-ethyl-5-[(3S)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 95190607
N-[[(3S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42510091
N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45207609
N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97216650
5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide
CID 131912301
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone
CID 131916510

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide (CID 42557854) is N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide is CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)o1.
What is the InChIKey of N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is VPXLYCDQZHKCFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-20(2,24)10-9-16-7-8-17(27-16)19(23)22-11-3-5-15(14-22)13-21-29(25,26)18-6-4-12-28-18/h4,6-8,12,15,21,24H,3,5,11,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 436.56 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42557854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).