tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate

C14H22N4O5S — CID 10784627

IUPACtert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N4O5S/c1-14(2,3)23-13(20)16-9-8-12(19)18-17-10-4-6-11(7-5-10)24(15,21)22/h4-7,17H,8-9H2,1-3H3,(H,16,20)(H,18,19)(H2,15,21,22)
InChIKeyJAZUCZDEUDGTKX-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.69
Rot. Bonds6

About tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate

tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate (PubChem CID 10784627) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate
PubChem CID10784627
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Nametert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N4O5S/c1-14(2,3)23-13(20)16-9-8-12(19)18-17-10-4-6-11(7-5-10)24(15,21)22/h4-7,17H,8-9H2,1-3H3,(H,16,20)(H,18,19)(H2,15,21,22)
InChIKeyJAZUCZDEUDGTKX-UHFFFAOYSA-N
XLogP0.69
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459
tert-butyl N-[3-(2-iodo-4-sulfamoylanilino)-3-oxopropyl]carbamate
CID 10742938
tert-butyl N-[3-(2-chloro-4-sulfamoylanilino)-3-oxopropyl]carbamate
CID 10667340
benzenesulfonamide;tert-butyl N-[3-(benzenesulfonamido)-3-oxopropyl]carbamate;methane;3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 161337675
tert-butyl N-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]carbamate
CID 122420497
tert-butyl N-[2-(2-amino-5-sulfamoylanilino)ethyl]carbamate
CID 104932877
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
tert-butyl N-[2-oxo-2-[[4-(4-sulfamoylanilino)pyrimidin-2-yl]amino]ethyl]carbamate
CID 10645900
tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
CID 103821639
tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate
CID 9188430
tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 173365471
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate (CID 10784627) is tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate?
The InChIKey is JAZUCZDEUDGTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-14(2,3)23-13(20)16-9-8-12(19)18-17-10-4-6-11(7-5-10)24(15,21)22/h4-7,17H,8-9H2,1-3H3,(H,16,20)(H,18,19)(H2,15,21,22).
What are the key properties of tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate?
tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate has a molecular weight of 358.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[2-(4-sulfamoylphenyl)hydrazinyl]propyl]carbamate is sourced from PubChem (CID 10784627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).