1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea

C18H23N3O4S — CID 17417410

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea
SMILESCc1cc(C)cc(OCCN(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H23N3O4S/c1-13-10-14(2)12-16(11-13)25-9-8-21(3)18(22)20-15-4-6-17(7-5-15)26(19,23)24/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyUOKXKUZFTBBUAO-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.49
Rot. Bonds6

About 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea

1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea (PubChem CID 17417410) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea
PubChem CID17417410
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea
SMILESCc1cc(C)cc(OCCN(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H23N3O4S/c1-13-10-14(2)12-16(11-13)25-9-8-21(3)18(22)20-15-4-6-17(7-5-15)26(19,23)24/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyUOKXKUZFTBBUAO-UHFFFAOYSA-N
XLogP2.49
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 26430195
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8928716
N-[2-(3,5-dimethylphenoxy)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24517392
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
3-(3,5-dimethylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55573139
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8750734
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139387

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea (CID 17417410) is 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea is Cc1cc(C)cc(OCCN(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is UOKXKUZFTBBUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13-10-14(2)12-16(11-13)25-9-8-21(3)18(22)20-15-4-6-17(7-5-15)26(19,23)24/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)(H2,19,23,24).
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea?
1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 377.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 17417410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).