N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide

C23H23N3O5S — CID 3594745

IUPACN-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H23N3O5S/c1-15(27)24-16-9-11-17(12-10-16)32(30,31)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h3-4,7-12,25H,2,5-6,13-14H2,1H3,(H,24,27)
InChIKeyMQRHPJOCZAVGLS-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.70
Rot. Bonds5

About N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide

N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 3594745) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID3594745
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H23N3O5S/c1-15(27)24-16-9-11-17(12-10-16)32(30,31)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h3-4,7-12,25H,2,5-6,13-14H2,1H3,(H,24,27)
InChIKeyMQRHPJOCZAVGLS-UHFFFAOYSA-N
XLogP2.70
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 4203404
methane;2-(4-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 159705780
ethyl 1-[3-[(4-chlorophenyl)sulfonylamino]-1,4-dioxonaphthalen-2-yl]piperidine-4-carboxylate
CID 4587576
N-(4-methylphenyl)-1,4-dioxo-3-pyrrolidin-1-ylnaphthalene-2-sulfonamide
CID 25037207
ethyl N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)carbamate
CID 4154822
N-[4-[[6-(azepan-1-yl)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015969
2-(4-chloroanilino)-3-piperidin-1-ylnaphthalene-1,4-dione
CID 2847809
2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]anilino]-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 5339647
2-[4-(diethylamino)anilino]-3-piperidin-1-ylnaphthalene-1,4-dione
CID 40524529
4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]amino]-N-pyridin-2-ylbenzenesulfonamide
CID 58398231
N-[4-[[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 41006099
N-(3,4-dichlorophenyl)-1,4-dioxo-3-piperidin-1-ylnaphthalene-2-sulfonamide
CID 25042727

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide (CID 3594745) is N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MQRHPJOCZAVGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-15(27)24-16-9-11-17(12-10-16)32(30,31)25-20-21(26-13-5-2-6-14-26)23(29)19-8-4-3-7-18(19)22(20)28/h3-4,7-12,25H,2,5-6,13-14H2,1H3,(H,24,27).
What are the key properties of N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 453.52 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3594745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).