N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

C20H19N3O5S — CID 108509374

IUPACN'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1
InChIInChI=1S/C20H19N3O5S/c21-29(27,28)14-9-7-13(8-10-14)11-12-22-19(25)20(26)23-17-5-1-4-16-15(17)3-2-6-18(16)24/h1-10,24H,11-12H2,(H,22,25)(H,23,26)(H2,21,27,28)
InChIKeyVGLVKLZXIDZTNV-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.49
Rot. Bonds5

About N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 108509374) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID108509374
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1
InChIInChI=1S/C20H19N3O5S/c21-29(27,28)14-9-7-13(8-10-14)11-12-22-19(25)20(26)23-17-5-1-4-16-15(17)3-2-6-18(16)24/h1-10,24H,11-12H2,(H,22,25)(H,23,26)(H2,21,27,28)
InChIKeyVGLVKLZXIDZTNV-UHFFFAOYSA-N
XLogP1.49
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
N-naphthalen-1-yl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4852522
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108530246
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989685
N'-(3H-benzimidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108529242
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-(4-bromophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 25040998

Frequently Asked Questions

What is the IUPAC name of N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 108509374) is N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc3c(O)cccc23)cc1.
What is the InChIKey of N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is VGLVKLZXIDZTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c21-29(27,28)14-9-7-13(8-10-14)11-12-22-19(25)20(26)23-17-5-1-4-16-15(17)3-2-6-18(16)24/h1-10,24H,11-12H2,(H,22,25)(H,23,26)(H2,21,27,28).
What are the key properties of N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 413.46 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 108509374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).