1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea

C16H20N4O6S2 — CID 162651162

IUPAC1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
SMILESCOc1ccccc1NC(=O)NCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H20N4O6S2/c1-26-15-5-3-2-4-14(15)19-16(21)18-10-11-27(22,23)20-12-6-8-13(9-7-12)28(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21)
InChIKeyNUBNECLTKQKFKV-UHFFFAOYSA-N
MW428.49 g/mol
LogP0.91
Rot. Bonds8

About 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea

1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea (PubChem CID 162651162) has the molecular formula C16H20N4O6S2 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
PubChem CID162651162
Molecular FormulaC16H20N4O6S2
Molecular Weight428.49 g/mol
Exact Mass428.08
IUPAC Name1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
SMILESCOc1ccccc1NC(=O)NCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H20N4O6S2/c1-26-15-5-3-2-4-14(15)19-16(21)18-10-11-27(22,23)20-12-6-8-13(9-7-12)28(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21)
InChIKeyNUBNECLTKQKFKV-UHFFFAOYSA-N
XLogP0.91
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-methoxyphenyl)urea
CID 3152350
1-(2-Methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817798
2-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
3-[(2-Ethoxyphenyl)carbamoyl]-1-methyl-1-methylsulfonylurea
CID 3289054
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
(4-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53353818
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216
N-(4-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372219
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56839168

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea (CID 162651162) is 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea is COc1ccccc1NC(=O)NCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
The InChIKey is NUBNECLTKQKFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S2/c1-26-15-5-3-2-4-14(15)19-16(21)18-10-11-27(22,23)20-12-6-8-13(9-7-12)28(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21).
What are the key properties of 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea?
1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea has a molecular weight of 428.49 g/mol, XLogP of 0.91, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea is sourced from PubChem (CID 162651162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).