1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea

C24H28N4O3S — CID 46882236

IUPAC1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea
SMILESCC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H28N4O3S/c1-24(2,25)16-18-8-10-21(11-9-18)28-32(30,31)22-14-12-20(13-15-22)27-23(29)26-17-19-6-4-3-5-7-19/h3-15,28H,16-17,25H2,1-2H3,(H2,26,27,29)
InChIKeyRECHLGGTCHLDFL-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.09
Rot. Bonds8

About 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea

1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea (PubChem CID 46882236) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea.

Molecular Properties

Compound Name1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea
PubChem CID46882236
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea
SMILESCC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H28N4O3S/c1-24(2,25)16-18-8-10-21(11-9-18)28-32(30,31)22-14-12-20(13-15-22)27-23(29)26-17-19-6-4-3-5-7-19/h3-15,28H,16-17,25H2,1-2H3,(H2,26,27,29)
InChIKeyRECHLGGTCHLDFL-UHFFFAOYSA-N
XLogP4.09
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea?
The IUPAC name of 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea (CID 46882236) is 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea.
What is the SMILES notation for 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea?
The canonical SMILES for 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea is CC(C)(N)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea?
The InChIKey is RECHLGGTCHLDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-24(2,25)16-18-8-10-21(11-9-18)28-32(30,31)22-14-12-20(13-15-22)27-23(29)26-17-19-6-4-3-5-7-19/h3-15,28H,16-17,25H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea?
1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea has a molecular weight of 452.58 g/mol, XLogP of 4.09, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-benzylurea is sourced from PubChem (CID 46882236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).