N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide

C21H27N3O5S — CID 24614398

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3c(C)oc(C)c3C)CC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-13-14(2)29-15(3)20(13)21(26)23-18-9-11-24(12-10-18)30(27,28)19-7-5-17(6-8-19)22-16(4)25/h5-8,18H,9-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBOQCOYBZXLRQGP-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 24614398) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
PubChem CID24614398
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3c(C)oc(C)c3C)CC2)cc1
InChIInChI=1S/C21H27N3O5S/c1-13-14(2)29-15(3)20(13)21(26)23-18-9-11-24(12-10-18)30(27,28)19-7-5-17(6-8-19)22-16(4)25/h5-8,18H,9-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBOQCOYBZXLRQGP-UHFFFAOYSA-N
XLogP2.75
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
CID 24614368
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24614405
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 24611592
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561718
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 154858329
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 24611640

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide (CID 24614398) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3c(C)oc(C)c3C)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is BOQCOYBZXLRQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-13-14(2)29-15(3)20(13)21(26)23-18-9-11-24(12-10-18)30(27,28)19-7-5-17(6-8-19)22-16(4)25/h5-8,18H,9-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 24614398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).