tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate

C18H30N2O5S — CID 10861991

IUPACtert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CC(CO)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O5S/c1-17(2,3)20-26(23,24)15-9-7-13(8-10-15)11-14(12-21)19-16(22)25-18(4,5)6/h7-10,14,20-21H,11-12H2,1-6H3,(H,19,22)
InChIKeyYBVLAAJJUHJITO-UHFFFAOYSA-N
MW386.51 g/mol
LogP2.19
Rot. Bonds6

About tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate (PubChem CID 10861991) has the molecular formula C18H30N2O5S and a molecular weight of 386.51 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate
PubChem CID10861991
Molecular FormulaC18H30N2O5S
Molecular Weight386.51 g/mol
Exact Mass386.19
IUPAC Nametert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CC(CO)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O5S/c1-17(2,3)20-26(23,24)15-9-7-13(8-10-15)11-14(12-21)19-16(22)25-18(4,5)6/h7-10,14,20-21H,11-12H2,1-6H3,(H,19,22)
InChIKeyYBVLAAJJUHJITO-UHFFFAOYSA-N
XLogP2.19
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
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tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
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tert-butyl N-[(2S)-1-(3-fluoro-4-hydroxyphenyl)-3-hydroxypropan-2-yl]carbamate
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tert-butyl N-[(2S)-1-(4-carbamoylphenyl)-3-hydroxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-(4-cyanophenyl)-3-hydroxypropan-2-yl]carbamate
CID 161149960
tert-butyl N-[(2S)-1-[4-[(5-formyl-2-pyridinyl)oxy]phenyl]-3-hydroxypropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate (CID 10861991) is tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate is CC(C)(C)NS(=O)(=O)c1ccc(CC(CO)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate?
The InChIKey is YBVLAAJJUHJITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5S/c1-17(2,3)20-26(23,24)15-9-7-13(8-10-15)11-14(12-21)19-16(22)25-18(4,5)6/h7-10,14,20-21H,11-12H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate has a molecular weight of 386.51 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(tert-butylsulfamoyl)phenyl]-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 10861991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).