tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate

C17H27BrN2O5S — CID 59309479

IUPACtert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate
SMILESCOc1cc(CNS(=O)(=O)NC(=O)OC(C)(C)C)c(Br)cc1C(C)(C)C
InChIInChI=1S/C17H27BrN2O5S/c1-16(2,3)12-9-13(18)11(8-14(12)24-7)10-19-26(22,23)20-15(21)25-17(4,5)6/h8-9,19H,10H2,1-7H3,(H,20,21)
InChIKeySDSJGTNOLOHQQQ-UHFFFAOYSA-N
MW451.38 g/mol
LogP3.61
Rot. Bonds5

About tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate

tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate (PubChem CID 59309479) has the molecular formula C17H27BrN2O5S and a molecular weight of 451.38 g/mol. Its IUPAC name is tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate
PubChem CID59309479
Molecular FormulaC17H27BrN2O5S
Molecular Weight451.38 g/mol
Exact Mass450.08
IUPAC Nametert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate
SMILESCOc1cc(CNS(=O)(=O)NC(=O)OC(C)(C)C)c(Br)cc1C(C)(C)C
InChIInChI=1S/C17H27BrN2O5S/c1-16(2,3)12-9-13(18)11(8-14(12)24-7)10-19-26(22,23)20-15(21)25-17(4,5)6/h8-9,19H,10H2,1-7H3,(H,20,21)
InChIKeySDSJGTNOLOHQQQ-UHFFFAOYSA-N
XLogP3.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene
CID 59309470
tert-butyl N-[(4-amino-2-fluorophenyl)methylsulfamoyl]carbamate
CID 86680228
tert-butyl N-[2-[[N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111883831
[4-bromo-2-methoxy-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] 2,2-dimethylpropanoate
CID 56640944
tert-butyl N-(2-sulfanylethylsulfamoyl)carbamate
CID 134306753
tert-butyl N-[5-(4-bromo-2,5-dimethoxyphenyl)-2-methylpentan-2-yl]oxycarbonylcarbamate
CID 176633140
tert-butyl N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 135642273
1-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 59309473
3-(5-bromo-2-methoxy-4-nitrophenyl)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butane-1-sulfonic acid
CID 172845724
tert-butyl N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]carbamate
CID 53349637
methyl N-[(3-tert-butyl-4-methoxyphenyl)methyl]carbamate
CID 110780471
2-[5-bromo-2-methoxy-N-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]anilino]acetic acid
CID 90774089

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate?
The IUPAC name of tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate (CID 59309479) is tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate is COc1cc(CNS(=O)(=O)NC(=O)OC(C)(C)C)c(Br)cc1C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate?
The InChIKey is SDSJGTNOLOHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O5S/c1-16(2,3)12-9-13(18)11(8-14(12)24-7)10-19-26(22,23)20-15(21)25-17(4,5)6/h8-9,19H,10H2,1-7H3,(H,20,21).
What are the key properties of tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate?
tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate has a molecular weight of 451.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-bromo-4-tert-butyl-5-methoxyphenyl)methylsulfamoyl]carbamate is sourced from PubChem (CID 59309479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).