1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea

C15H19N3O4S2 — CID 17469327

IUPAC1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCOCCN(Cc1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H19N3O4S2/c1-22-9-8-18(11-13-3-2-10-23-13)15(19)17-12-4-6-14(7-5-12)24(16,20)21/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyXUVXLVRNEHYBFC-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.08
Rot. Bonds7

About 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea

1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 17469327) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID17469327
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCOCCN(Cc1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H19N3O4S2/c1-22-9-8-18(11-13-3-2-10-23-13)15(19)17-12-4-6-14(7-5-12)24(16,20)21/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyXUVXLVRNEHYBFC-UHFFFAOYSA-N
XLogP2.08
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 22510485
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4277311
2-[(3-chloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4055377
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
2-amino-N-(2-methoxyethyl)-6-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 61112230
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323
2-[(4-acetamidophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 4172996
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea (CID 17469327) is 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea is COCCN(Cc1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is XUVXLVRNEHYBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-22-9-8-18(11-13-3-2-10-23-13)15(19)17-12-4-6-14(7-5-12)24(16,20)21/h2-7,10H,8-9,11H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea?
1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 369.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 17469327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).