1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea

C16H19N3O3S — CID 157049317

IUPAC1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyODXMSWVMIFFZON-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.04
Rot. Bonds5

About 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea

1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea (PubChem CID 157049317) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea
PubChem CID157049317
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyODXMSWVMIFFZON-UHFFFAOYSA-N
XLogP2.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea (CID 157049317) is 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea is CN(CCc1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea?
The InChIKey is ODXMSWVMIFFZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea?
1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea has a molecular weight of 333.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 157049317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).