1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea

C23H28N4O4S — CID 10647471

IUPAC1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C23H28N4O4S/c1-14(2)12-17-10-11-18(20(13-17)25-23(28)24-5)19-8-6-7-9-21(19)32(29,30)27-22-15(3)16(4)26-31-22/h6-11,13-14,27H,12H2,1-5H3,(H2,24,25,28)
InChIKeyWXGGHALEIFGNJC-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.71
Rot. Bonds7

About 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea

1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea (PubChem CID 10647471) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea
PubChem CID10647471
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C23H28N4O4S/c1-14(2)12-17-10-11-18(20(13-17)25-23(28)24-5)19-8-6-7-9-21(19)32(29,30)27-22-15(3)16(4)26-31-22/h6-11,13-14,27H,12H2,1-5H3,(H2,24,25,28)
InChIKeyWXGGHALEIFGNJC-UHFFFAOYSA-N
XLogP4.71
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea?
The IUPAC name of 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea (CID 10647471) is 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea.
What is the SMILES notation for 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea?
The canonical SMILES for 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea is CNC(=O)Nc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C.
What is the InChIKey of 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea?
The InChIKey is WXGGHALEIFGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-14(2)12-17-10-11-18(20(13-17)25-23(28)24-5)19-8-6-7-9-21(19)32(29,30)27-22-15(3)16(4)26-31-22/h6-11,13-14,27H,12H2,1-5H3,(H2,24,25,28).
What are the key properties of 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea?
1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea has a molecular weight of 456.57 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]-3-methylurea is sourced from PubChem (CID 10647471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).