4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide

C25H24N4O5S — CID 122390547

IUPAC4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(NS(=O)(=O)c2cccc3c(N4C(=O)c5ccccc5C4=O)cccc23)CC1
InChIInChI=1S/C25H24N4O5S/c1-26-25(32)28-14-12-16(13-15-28)27-35(33,34)22-11-5-8-17-18(22)9-4-10-21(17)29-23(30)19-6-2-3-7-20(19)24(29)31/h2-11,16,27H,12-15H2,1H3,(H,26,32)
InChIKeySZPXDYMJQGIIHD-UHFFFAOYSA-N
MW492.56 g/mol
LogP2.72
Rot. Bonds4

About 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide

4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide (PubChem CID 122390547) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide
PubChem CID122390547
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(NS(=O)(=O)c2cccc3c(N4C(=O)c5ccccc5C4=O)cccc23)CC1
InChIInChI=1S/C25H24N4O5S/c1-26-25(32)28-14-12-16(13-15-28)27-35(33,34)22-11-5-8-17-18(22)9-4-10-21(17)29-23(30)19-6-2-3-7-20(19)24(29)31/h2-11,16,27H,12-15H2,1H3,(H,26,32)
InChIKeySZPXDYMJQGIIHD-UHFFFAOYSA-N
XLogP2.72
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide with MolForge

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Related Compounds

ethyl 4-[[4-[(1,3-dioxoisoindol-2-yl)methyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 66998248
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid
CID 69009615
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
tert-butyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 168518895
4-[(2-propan-2-ylphenyl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166315
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
ethyl 4-[[5-[chloro(phenyl)carbamoyl]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 87230277
2-[2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dioxoisoindole
CID 108564651
2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59718013
ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
CID 25043133
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide (CID 122390547) is 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(NS(=O)(=O)c2cccc3c(N4C(=O)c5ccccc5C4=O)cccc23)CC1.
What is the InChIKey of 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide?
The InChIKey is SZPXDYMJQGIIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-26-25(32)28-14-12-16(13-15-28)27-35(33,34)22-11-5-8-17-18(22)9-4-10-21(17)29-23(30)19-6-2-3-7-20(19)24(29)31/h2-11,16,27H,12-15H2,1H3,(H,26,32).
What are the key properties of 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide?
4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]sulfonylamino]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 122390547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).