1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea

C16H19N3O4S — CID 1295659

IUPAC1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C16H19N3O4S/c1-3-17-24(21,22)15-9-7-12(8-10-15)18-16(20)19-13-5-4-6-14(11-13)23-2/h4-11,17H,3H2,1-2H3,(H2,18,19,20)
InChIKeyFPWDIKCAXZADIX-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.64
Rot. Bonds6

About 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea

1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 1295659) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea
PubChem CID1295659
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C16H19N3O4S/c1-3-17-24(21,22)15-9-7-12(8-10-15)18-16(20)19-13-5-4-6-14(11-13)23-2/h4-11,17H,3H2,1-2H3,(H2,18,19,20)
InChIKeyFPWDIKCAXZADIX-UHFFFAOYSA-N
XLogP2.64
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea (CID 1295659) is 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea is CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is FPWDIKCAXZADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-17-24(21,22)15-9-7-12(8-10-15)18-16(20)19-13-5-4-6-14(11-13)23-2/h4-11,17H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea?
1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 349.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 1295659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).