N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide

C16H24N4O4S — CID 87016782

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide
SMILESCc1oc(NC(=O)C(C)N2CCCC(NS(C)(=O)=O)C2)c(C#N)c1C
InChIInChI=1S/C16H24N4O4S/c1-10-12(3)24-16(14(10)8-17)18-15(21)11(2)20-7-5-6-13(9-20)19-25(4,22)23/h11,13,19H,5-7,9H2,1-4H3,(H,18,21)
InChIKeyAZPHEQIAEZOYKY-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.11
Rot. Bonds5

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide (PubChem CID 87016782) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide
PubChem CID87016782
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide
SMILESCc1oc(NC(=O)C(C)N2CCCC(NS(C)(=O)=O)C2)c(C#N)c1C
InChIInChI=1S/C16H24N4O4S/c1-10-12(3)24-16(14(10)8-17)18-15(21)11(2)20-7-5-6-13(9-20)19-25(4,22)23/h11,13,19H,5-7,9H2,1-4H3,(H,18,21)
InChIKeyAZPHEQIAEZOYKY-UHFFFAOYSA-N
XLogP1.11
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 32720606
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760322
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47055392
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111497013
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
CID 78857275
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681461
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride
CID 119918352
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 100842533
2-methylpropyl N-(3-cyano-4,5-dimethylfuran-2-yl)carbamate
CID 108740181
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331
N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 86825009

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide (CID 87016782) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide is Cc1oc(NC(=O)C(C)N2CCCC(NS(C)(=O)=O)C2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide?
The InChIKey is AZPHEQIAEZOYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-10-12(3)24-16(14(10)8-17)18-15(21)11(2)20-7-5-6-13(9-20)19-25(4,22)23/h11,13,19H,5-7,9H2,1-4H3,(H,18,21).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide is sourced from PubChem (CID 87016782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).