1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea

C13H21N3O3S — CID 112729478

IUPAC1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCCN(CC)C(=O)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O3S/c1-4-16(5-2)13(17)15-10(3)11-7-6-8-12(9-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19)
InChIKeyFBYMTLIXOPGLBK-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.45
Rot. Bonds5

About 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea

1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea (PubChem CID 112729478) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
PubChem CID112729478
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
SMILESCCN(CC)C(=O)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O3S/c1-4-16(5-2)13(17)15-10(3)11-7-6-8-12(9-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19)
InChIKeyFBYMTLIXOPGLBK-UHFFFAOYSA-N
XLogP1.45
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
1-[(4-fluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 75833918
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
1-[(2,4-difluorophenyl)methyl]-1-methyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 55541921
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
CID 43226387
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86861276
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea (CID 112729478) is 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea is CCN(CC)C(=O)NC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
The InChIKey is FBYMTLIXOPGLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-16(5-2)13(17)15-10(3)11-7-6-8-12(9-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea?
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea has a molecular weight of 299.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 112729478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).