1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea

C20H35N3O3S — CID 10548852

IUPAC1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C(C)(C)C
InChIInChI=1S/C20H35N3O3S/c1-13(2)16-11-10-12-17(14(3)4)18(16)21-19(24)22-27(25,26)23(15(5)6)20(7,8)9/h10-15H,1-9H3,(H2,21,22,24)
InChIKeyGEUGXPSFOVNMAL-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.81
Rot. Bonds6

About 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea

1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 10548852) has the molecular formula C20H35N3O3S and a molecular weight of 397.59 g/mol. Its IUPAC name is 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID10548852
Molecular FormulaC20H35N3O3S
Molecular Weight397.59 g/mol
Exact Mass397.24
IUPAC Name1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C(C)(C)C
InChIInChI=1S/C20H35N3O3S/c1-13(2)16-11-10-12-17(14(3)4)18(16)21-19(24)22-27(25,26)23(15(5)6)20(7,8)9/h10-15H,1-9H3,(H2,21,22,24)
InChIKeyGEUGXPSFOVNMAL-UHFFFAOYSA-N
XLogP4.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea (CID 10548852) is 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is GEUGXPSFOVNMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3S/c1-13(2)16-11-10-12-17(14(3)4)18(16)21-19(24)22-27(25,26)23(15(5)6)20(7,8)9/h10-15H,1-9H3,(H2,21,22,24).
What are the key properties of 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea?
1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 397.59 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(propan-2-yl)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 10548852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).