3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea

C12H19N3O3S — CID 86807582

IUPAC3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCCNC(=O)N(C)C(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-4-14-12(16)15(3)9(2)10-6-5-7-11(8-10)19(13,17)18/h5-9H,4H2,1-3H3,(H,14,16)(H2,13,17,18)
InChIKeyPFLDDVOPFJIWOS-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.06
Rot. Bonds4

About 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea

3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea (PubChem CID 86807582) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
PubChem CID86807582
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCCNC(=O)N(C)C(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-4-14-12(16)15(3)9(2)10-6-5-7-11(8-10)19(13,17)18/h5-9H,4H2,1-3H3,(H,14,16)(H2,13,17,18)
InChIKeyPFLDDVOPFJIWOS-UHFFFAOYSA-N
XLogP1.06
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
CID 99804013
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326
N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 95336916
3-[1-[2-hydroxybutyl(methyl)amino]ethyl]benzenesulfonamide
CID 111544265
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
3-(3,3-diphenylpropyl)-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 43074821
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
N-ethyl-3-sulfamoylbenzamide
CID 43089872
2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 56532417
N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
CID 43226387
1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86861276
N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide
CID 51135786

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea (CID 86807582) is 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea is CCNC(=O)N(C)C(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea?
The InChIKey is PFLDDVOPFJIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-14-12(16)15(3)9(2)10-6-5-7-11(8-10)19(13,17)18/h5-9H,4H2,1-3H3,(H,14,16)(H2,13,17,18).
What are the key properties of 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea?
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea has a molecular weight of 285.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 86807582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).