1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

C18H23N3O4S — CID 51116713

IUPAC1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(C)Oc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-13(2)25-16-7-5-15(6-8-16)21-18(22)20-12-11-14-3-9-17(10-4-14)26(19,23)24/h3-10,13H,11-12H2,1-2H3,(H2,19,23,24)(H2,20,21,22)
InChIKeyZFFNRUPTUYUSIV-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.49
Rot. Bonds7

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

1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 51116713) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID51116713
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(C)Oc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O4S/c1-13(2)25-16-7-5-15(6-8-16)21-18(22)20-12-11-14-3-9-17(10-4-14)26(19,23)24/h3-10,13H,11-12H2,1-2H3,(H2,19,23,24)(H2,20,21,22)
InChIKeyZFFNRUPTUYUSIV-UHFFFAOYSA-N
XLogP2.49
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25040507
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217169
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
2-[2-(4-methylsulfonylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111815160

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 51116713) is 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is CC(C)Oc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is ZFFNRUPTUYUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-13(2)25-16-7-5-15(6-8-16)21-18(22)20-12-11-14-3-9-17(10-4-14)26(19,23)24/h3-10,13H,11-12H2,1-2H3,(H2,19,23,24)(H2,20,21,22).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 377.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 51116713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).