1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea

C17H21N3O4S — CID 1295672

IUPAC1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-4-18-25(22,23)14-8-6-13(7-9-14)19-17(21)20-15-11-12(2)5-10-16(15)24-3/h5-11,18H,4H2,1-3H3,(H2,19,20,21)
InChIKeyAVDDQCPAFPZYOW-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.95
Rot. Bonds6

About 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea

1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 1295672) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID1295672
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-4-18-25(22,23)14-8-6-13(7-9-14)19-17(21)20-15-11-12(2)5-10-16(15)24-3/h5-11,18H,4H2,1-3H3,(H2,19,20,21)
InChIKeyAVDDQCPAFPZYOW-UHFFFAOYSA-N
XLogP2.95
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.95
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-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea (CID 1295672) is 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea is CCNS(=O)(=O)c1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is AVDDQCPAFPZYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-4-18-25(22,23)14-8-6-13(7-9-14)19-17(21)20-15-11-12(2)5-10-16(15)24-3/h5-11,18H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 363.44 g/mol, XLogP of 2.95, 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-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 1295672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).