2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide

C20H34N2O3S — CID 57289786

IUPAC2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide
SMILESCCCCCCC(C(N)=O)S(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H34N2O3S/c1-6-7-8-9-13-18(20(21)23)26(24,25)22-19-16(14(2)3)11-10-12-17(19)15(4)5/h10-12,14-15,18,22H,6-9,13H2,1-5H3,(H2,21,23)
InChIKeyQHTKUDJOBXYUOJ-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.50
Rot. Bonds11

About 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide

2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide (PubChem CID 57289786) has the molecular formula C20H34N2O3S and a molecular weight of 382.57 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide
PubChem CID57289786
Molecular FormulaC20H34N2O3S
Molecular Weight382.57 g/mol
Exact Mass382.23
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide
SMILESCCCCCCC(C(N)=O)S(=O)(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H34N2O3S/c1-6-7-8-9-13-18(20(21)23)26(24,25)22-19-16(14(2)3)11-10-12-17(19)15(4)5/h10-12,14-15,18,22H,6-9,13H2,1-5H3,(H2,21,23)
InChIKeyQHTKUDJOBXYUOJ-UHFFFAOYSA-N
XLogP4.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decan-2-ylsulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10432503
1-[2,6-di(propan-2-yl)phenyl]-3-dodecan-2-ylurea
CID 141032891
1-[2,6-di(propan-2-yl)phenyl]-3-(1-phenyltetradecylsulfonyl)urea
CID 19611842
dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate
CID 10025826
N-[2,6-di(propan-2-yl)phenyl]-1-(2-dodecyltetrazol-5-yl)-2-phenylethanesulfonamide
CID 19741951
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea
CID 10667693
1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
CID 10578886
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide
CID 142667190
(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
CID 71684537
N-[2,6-di(propan-2-yl)phenyl]-4-tetradecylsulfanylbutanamide
CID 19002325

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide (CID 57289786) is 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide is CCCCCCC(C(N)=O)S(=O)(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide?
The InChIKey is QHTKUDJOBXYUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3S/c1-6-7-8-9-13-18(20(21)23)26(24,25)22-19-16(14(2)3)11-10-12-17(19)15(4)5/h10-12,14-15,18,22H,6-9,13H2,1-5H3,(H2,21,23).
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide?
2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide has a molecular weight of 382.57 g/mol, XLogP of 4.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]octanamide is sourced from PubChem (CID 57289786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).