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

C26H27N3O4S — CID 24611640

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4c5c(cccc35)CC4)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c1-17(30)27-20-8-10-22(11-9-20)34(32,33)29-15-13-21(14-16-29)28-26(31)24-12-7-19-6-5-18-3-2-4-23(24)25(18)19/h2-4,7-12,21H,5-6,13-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyFWPJBUPFHNTWLB-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.48
Rot. Bonds5

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

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 24611640) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID24611640
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4c5c(cccc35)CC4)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c1-17(30)27-20-8-10-22(11-9-20)34(32,33)29-15-13-21(14-16-29)28-26(31)24-12-7-19-6-5-18-3-2-4-23(24)25(18)19/h2-4,7-12,21H,5-6,13-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyFWPJBUPFHNTWLB-UHFFFAOYSA-N
XLogP3.48
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 24614405
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
CID 24614368
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 24614398
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561718
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 24611620
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 154858329
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24562475

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide (CID 24611640) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc4c5c(cccc35)CC4)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is FWPJBUPFHNTWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-17(30)27-20-8-10-22(11-9-20)34(32,33)29-15-13-21(14-16-29)28-26(31)24-12-7-19-6-5-18-3-2-4-23(24)25(18)19/h2-4,7-12,21H,5-6,13-16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 24611640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).