(2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate

C28H42N2O5S — CID 10279576

IUPAC(2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate
SMILESCOc1cc(C(C)(C)C)c(OC(=O)NS(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C28H42N2O5S/c1-17(2)20-13-12-14-21(18(3)4)24(20)29-36(32,33)30-26(31)35-25-22(27(5,6)7)15-19(34-11)16-23(25)28(8,9)10/h12-18,29H,1-11H3,(H,30,31)
InChIKeyXRZLQRNEJHEDNN-UHFFFAOYSA-N
MW518.72 g/mol
LogP6.98
Rot. Bonds7

About (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate

(2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate (PubChem CID 10279576) has the molecular formula C28H42N2O5S and a molecular weight of 518.72 g/mol. Its IUPAC name is (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate.

Molecular Properties

Compound Name(2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate
PubChem CID10279576
Molecular FormulaC28H42N2O5S
Molecular Weight518.72 g/mol
Exact Mass518.28
IUPAC Name(2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate
SMILESCOc1cc(C(C)(C)C)c(OC(=O)NS(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C28H42N2O5S/c1-17(2)20-13-12-14-21(18(3)4)24(20)29-36(32,33)30-26(31)35-25-22(27(5,6)7)15-19(34-11)16-23(25)28(8,9)10/h12-18,29H,1-11H3,(H,30,31)
InChIKeyXRZLQRNEJHEDNN-UHFFFAOYSA-N
XLogP6.98
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.72
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate with MolForge

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Related Compounds

(2,6-ditert-butyl-4-methoxyphenyl) (3S)-3-phenylbutanoate
CID 102115782
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
(2,6-ditert-butyl-4-methoxyphenyl) (2S,3S)-3-acetyloxy-2-methyl-3-phenylpropanoate
CID 10873887
(2,6-ditert-butyl-4-methoxyphenyl) naphthalene-1-carboxylate
CID 11014638
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
(2,6-ditert-butyl-4-methoxyphenyl) (3S)-3-acetyloxy-2,2-dimethyl-3-phenylpropanoate
CID 10983310
(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 10834516
(2,6-ditert-butyl-4-methoxyphenyl) 1-[di(propan-2-yl)amino]naphthalene-2-carboxylate
CID 15268806
[4-nitro-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 10553612
(2,6-dimethylphenyl) N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]sulfamate
CID 54066253
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
(2,6-ditert-butyl-4-methoxyphenyl) 4-(N-phenylanilino)benzoate
CID 10864108

Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate?
The IUPAC name of (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate (CID 10279576) is (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate.
What is the SMILES notation for (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate?
The canonical SMILES for (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate is COc1cc(C(C)(C)C)c(OC(=O)NS(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate?
The InChIKey is XRZLQRNEJHEDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O5S/c1-17(2)20-13-12-14-21(18(3)4)24(20)29-36(32,33)30-26(31)35-25-22(27(5,6)7)15-19(34-11)16-23(25)28(8,9)10/h12-18,29H,1-11H3,(H,30,31).
What are the key properties of (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate?
(2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate has a molecular weight of 518.72 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butyl-4-methoxyphenyl) N-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]carbamate is sourced from PubChem (CID 10279576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).