N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide

C19H29N5O5S — CID 55600995

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)c(C#N)c1C
InChIInChI=1S/C19H29N5O5S/c1-13-10-24(11-14(2)28-13)30(26,27)23-7-5-22(6-8-23)12-18(25)21-19-17(9-20)15(3)16(4)29-19/h13-14H,5-8,10-12H2,1-4H3,(H,21,25)
InChIKeyZNYXMVFPMZPHIB-UHFFFAOYSA-N
MW439.54 g/mol
LogP0.68
Rot. Bonds5

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 55600995) has the molecular formula C19H29N5O5S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID55600995
Molecular FormulaC19H29N5O5S
Molecular Weight439.54 g/mol
Exact Mass439.19
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)c(C#N)c1C
InChIInChI=1S/C19H29N5O5S/c1-13-10-24(11-14(2)28-13)30(26,27)23-7-5-22(6-8-23)12-18(25)21-19-17(9-20)15(3)16(4)29-19/h13-14H,5-8,10-12H2,1-4H3,(H,21,25)
InChIKeyZNYXMVFPMZPHIB-UHFFFAOYSA-N
XLogP0.68
TPSA119.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 16595951
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681461
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39013390
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]acetamide
CID 95978164
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46689396
methyl 2-[[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55625981
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 32720606
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 18135579
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760304
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 38125978
N-(2-benzylphenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 55600971
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide
CID 16599323

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide (CID 55600995) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide is Cc1oc(NC(=O)CN2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is ZNYXMVFPMZPHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O5S/c1-13-10-24(11-14(2)28-13)30(26,27)23-7-5-22(6-8-23)12-18(25)21-19-17(9-20)15(3)16(4)29-19/h13-14H,5-8,10-12H2,1-4H3,(H,21,25).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 55600995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).