1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea

C11H17N3O4S — CID 79162786

IUPAC1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
SMILESCCN(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C11H17N3O4S/c1-4-14(2)11(15)13-9-7-8(19(12,16)17)5-6-10(9)18-3/h5-7H,4H2,1-3H3,(H,13,15)(H2,12,16,17)
InChIKeyMWWAQWMTPDDNRG-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.83
Rot. Bonds4

About 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea

1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea (PubChem CID 79162786) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
PubChem CID79162786
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
SMILESCCN(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C11H17N3O4S/c1-4-14(2)11(15)13-9-7-8(19(12,16)17)5-6-10(9)18-3/h5-7H,4H2,1-3H3,(H,13,15)(H2,12,16,17)
InChIKeyMWWAQWMTPDDNRG-UHFFFAOYSA-N
XLogP0.83
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide
CID 60549995
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829
2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 115575110
N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697481
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea?
The IUPAC name of 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea (CID 79162786) is 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea.
What is the SMILES notation for 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea?
The canonical SMILES for 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea is CCN(C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea?
The InChIKey is MWWAQWMTPDDNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-4-14(2)11(15)13-9-7-8(19(12,16)17)5-6-10(9)18-3/h5-7H,4H2,1-3H3,(H,13,15)(H2,12,16,17).
What are the key properties of 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea?
1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea has a molecular weight of 287.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea is sourced from PubChem (CID 79162786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).