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

C28H26N4O5S — CID 4203404

IUPACN-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C28H26N4O5S/c1-19(33)29-20-11-13-22(14-12-20)38(36,37)30-25-26(28(35)24-10-6-5-9-23(24)27(25)34)32-17-15-31(16-18-32)21-7-3-2-4-8-21/h2-14,30H,15-18H2,1H3,(H,29,33)
InChIKeyGIRILNLRUOHBJB-UHFFFAOYSA-N
MW530.61 g/mol
LogP3.04
Rot. Bonds6

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

N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 4203404) has the molecular formula C28H26N4O5S and a molecular weight of 530.61 g/mol. Its IUPAC name is N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID4203404
Molecular FormulaC28H26N4O5S
Molecular Weight530.61 g/mol
Exact Mass530.16
IUPAC NameN-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C28H26N4O5S/c1-19(33)29-20-11-13-22(14-12-20)38(36,37)30-25-26(28(35)24-10-6-5-9-23(24)27(25)34)32-17-15-31(16-18-32)21-7-3-2-4-8-21/h2-14,30H,15-18H2,1H3,(H,29,33)
InChIKeyGIRILNLRUOHBJB-UHFFFAOYSA-N
XLogP3.04
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.61
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide
CID 3594745
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 38810187
4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]amino]-N-pyridin-2-ylbenzenesulfonamide
CID 58398231
ethyl 1-[3-[(4-chlorophenyl)sulfonylamino]-1,4-dioxonaphthalen-2-yl]piperidine-4-carboxylate
CID 4587576
methyl (1Z)-N-(4-acetamidophenyl)sulfonyl-4-phenylpiperazine-1-carboximidothioate
CID 14981590
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid
CID 155045949
N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
CID 110361959
N-[4-[[(2S)-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)propan-2-yl]sulfamoyl]phenyl]acetamide
CID 86815509

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide (CID 4203404) is N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is GIRILNLRUOHBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5S/c1-19(33)29-20-11-13-22(14-12-20)38(36,37)30-25-26(28(35)24-10-6-5-9-23(24)27(25)34)32-17-15-31(16-18-32)21-7-3-2-4-8-21/h2-14,30H,15-18H2,1H3,(H,29,33).
What are the key properties of N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 530.61 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1,4-dioxo-3-(4-phenylpiperazin-1-yl)naphthalen-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4203404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).