1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea

C16H19N3O4S — CID 122179484

IUPAC1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCC(C)Oc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H19N3O4S/c1-11(2)23-14-5-3-4-13(10-14)19-16(20)18-12-6-8-15(9-7-12)24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyCMMKZTOAXHALOB-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.77
Rot. Bonds5

About 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea

1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 122179484) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID122179484
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCC(C)Oc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H19N3O4S/c1-11(2)23-14-5-3-4-13(10-14)19-16(20)18-12-6-8-15(9-7-12)24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyCMMKZTOAXHALOB-UHFFFAOYSA-N
XLogP2.77
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea (CID 122179484) is 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea is CC(C)Oc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is CMMKZTOAXHALOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11(2)23-14-5-3-4-13(10-14)19-16(20)18-12-6-8-15(9-7-12)24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea?
1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 349.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 122179484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).