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

C32H59N3O3S — CID 10578886

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
SMILESCCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C32H59N3O3S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-35(6)39(37,38)34-32(36)33-31-29(27(2)3)24-23-25-30(31)28(4)5/h23-25,27-28H,7-22,26H2,1-6H3,(H2,33,34,36)
InChIKeyFDUQKWHMOSSTLO-UHFFFAOYSA-N
MW565.91 g/mol
LogP9.49
Rot. Bonds22

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

1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea (PubChem CID 10578886) has the molecular formula C32H59N3O3S and a molecular weight of 565.91 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
PubChem CID10578886
Molecular FormulaC32H59N3O3S
Molecular Weight565.91 g/mol
Exact Mass565.43
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
SMILESCCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C32H59N3O3S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-35(6)39(37,38)34-32(36)33-31-29(27(2)3)24-23-25-30(31)28(4)5/h23-25,27-28H,7-22,26H2,1-6H3,(H2,33,34,36)
InChIKeyFDUQKWHMOSSTLO-UHFFFAOYSA-N
XLogP9.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.91
LogP ≤ 59.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

1-[2,6-bis(1-amino-5-methylhexyl)phenyl]-3-[butyl(methyl)sulfamoyl]urea
CID 67830237
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
1-[(didodecylamino)sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;N-dodecyldodecan-1-amine
CID 88503854
1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea
CID 10667693
1-decan-2-ylsulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10432503
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-[2,6-di(propan-2-yl)phenyl]-3-(1-phenyltetradecylsulfonyl)urea
CID 19611842
1-[2,6-di(propan-2-yl)phenyl]-3-dodecan-2-ylurea
CID 141032891
[2,6-di(propan-2-yl)phenyl] N-(dihexylsulfamoyl)carbamate
CID 10766697
1-(dioctylsulfamoyl)-3-(2,6-dipropylphenyl)urea
CID 67859948
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
sodium dibutylsulfamoyl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]azanide
CID 10694102

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea (CID 10578886) is 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea is CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea?
The InChIKey is FDUQKWHMOSSTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59N3O3S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-35(6)39(37,38)34-32(36)33-31-29(27(2)3)24-23-25-30(31)28(4)5/h23-25,27-28H,7-22,26H2,1-6H3,(H2,33,34,36).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea has a molecular weight of 565.91 g/mol, XLogP of 9.49, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea is sourced from PubChem (CID 10578886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).