1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea

C19H33N3O3S — CID 10667693

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea
SMILESCCCCCCNS(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H33N3O3S/c1-6-7-8-9-13-20-26(24,25)22-19(23)21-18-16(14(2)3)11-10-12-17(18)15(4)5/h10-12,14-15,20H,6-9,13H2,1-5H3,(H2,21,22,23)
InChIKeyIYVPSRFATUKXLE-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.47
Rot. Bonds10

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

1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea (PubChem CID 10667693) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea
PubChem CID10667693
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea
SMILESCCCCCCNS(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C19H33N3O3S/c1-6-7-8-9-13-20-26(24,25)22-19(23)21-18-16(14(2)3)11-10-12-17(18)15(4)5/h10-12,14-15,20H,6-9,13H2,1-5H3,(H2,21,22,23)
InChIKeyIYVPSRFATUKXLE-UHFFFAOYSA-N
XLogP4.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-octadecylurea
CID 10434973
1-decan-2-ylsulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10432503
1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
CID 10578886
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
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-(dimethylsulfamoyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10711308
dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate
CID 10025826
1-(2,2-diethyldodecyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10049142
1-(3-decyl-1,2-oxazol-5-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 11796760
1-[2,6-di(propan-2-yl)phenyl]-3-(2-undecylpyrazol-3-yl)urea
CID 19812020

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea (CID 10667693) is 1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea is CCCCCCNS(=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-(hexylsulfamoyl)urea?
The InChIKey is IYVPSRFATUKXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-6-7-8-9-13-20-26(24,25)22-19(23)21-18-16(14(2)3)11-10-12-17(18)15(4)5/h10-12,14-15,20H,6-9,13H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea?
1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea has a molecular weight of 383.56 g/mol, XLogP of 4.47, 10 rotatable bonds, 3 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-(hexylsulfamoyl)urea is sourced from PubChem (CID 10667693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).