1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea

C19H25N3O4S — CID 142727607

IUPAC1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea
SMILESCOc1ccc(S(N)(=O)=O)c(CCNC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C19H25N3O4S/c1-26-17-9-10-18(27(20,24)25)16(14-17)11-13-22-19(23)21-12-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H2,20,24,25)(H2,21,22,23)
InChIKeyGQRKKARJZYOXTL-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.82
Rot. Bonds9

About 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea

1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea (PubChem CID 142727607) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea
PubChem CID142727607
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea
SMILESCOc1ccc(S(N)(=O)=O)c(CCNC(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C19H25N3O4S/c1-26-17-9-10-18(27(20,24)25)16(14-17)11-13-22-19(23)21-12-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H2,20,24,25)(H2,21,22,23)
InChIKeyGQRKKARJZYOXTL-UHFFFAOYSA-N
XLogP1.82
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea (CID 142727607) is 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea is COc1ccc(S(N)(=O)=O)c(CCNC(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea?
The InChIKey is GQRKKARJZYOXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-26-17-9-10-18(27(20,24)25)16(14-17)11-13-22-19(23)21-12-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3,(H2,20,24,25)(H2,21,22,23).
What are the key properties of 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea?
1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea has a molecular weight of 391.49 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-2-sulfamoylphenyl)ethyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 142727607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).