tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate

C24H32N2O7S — CID 118067396

IUPACtert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate
SMILESCC(=O)CN(Cc1ccc(CO)cc1)S(=O)(=O)N(Cc1ccc(CO)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H32N2O7S/c1-18(29)13-25(14-19-5-9-21(16-27)10-6-19)34(31,32)26(23(30)33-24(2,3)4)15-20-7-11-22(17-28)12-8-20/h5-12,27-28H,13-17H2,1-4H3
InChIKeyOHSDODRLBLLIET-UHFFFAOYSA-N
MW492.59 g/mol
LogP2.74
Rot. Bonds10

About tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate

tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate (PubChem CID 118067396) has the molecular formula C24H32N2O7S and a molecular weight of 492.59 g/mol. Its IUPAC name is tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate
PubChem CID118067396
Molecular FormulaC24H32N2O7S
Molecular Weight492.59 g/mol
Exact Mass492.19
IUPAC Nametert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate
SMILESCC(=O)CN(Cc1ccc(CO)cc1)S(=O)(=O)N(Cc1ccc(CO)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H32N2O7S/c1-18(29)13-25(14-19-5-9-21(16-27)10-6-19)34(31,32)26(23(30)33-24(2,3)4)15-20-7-11-22(17-28)12-8-20/h5-12,27-28H,13-17H2,1-4H3
InChIKeyOHSDODRLBLLIET-UHFFFAOYSA-N
XLogP2.74
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[[4-(hydroxymethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl methanesulfonate
CID 90876890
tert-butyl N-[(4-chlorophenyl)methyl]-N-methylsulfonylcarbamate
CID 1484576
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
[[4-(hydroxymethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-methylbenzenesulfonate
CID 91361346
tert-butyl N-amino-N-[4-(hydroxymethyl)phenyl]carbamate
CID 101478872
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
tert-butyl N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]carbamate
CID 150196264
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]acetic acid
CID 170835837
3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
CID 59393893
tert-butyl N-benzyl-N-(4-methoxy-2,3,6-trimethylphenyl)sulfonylcarbamate
CID 10047714

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate (CID 118067396) is tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate is CC(=O)CN(Cc1ccc(CO)cc1)S(=O)(=O)N(Cc1ccc(CO)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate?
The InChIKey is OHSDODRLBLLIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7S/c1-18(29)13-25(14-19-5-9-21(16-27)10-6-19)34(31,32)26(23(30)33-24(2,3)4)15-20-7-11-22(17-28)12-8-20/h5-12,27-28H,13-17H2,1-4H3.
What are the key properties of tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate?
tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate has a molecular weight of 492.59 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]-N-[[4-(hydroxymethyl)phenyl]methyl-(2-oxopropyl)sulfamoyl]carbamate is sourced from PubChem (CID 118067396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).