tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate

C16H20N2O4S — CID 11739198

IUPACtert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
SMILESCNS(=O)(=O)c1cccc2c(NC(=O)OC(C)(C)C)cccc12
InChIInChI=1S/C16H20N2O4S/c1-16(2,3)22-15(19)18-13-9-5-8-12-11(13)7-6-10-14(12)23(20,21)17-4/h5-10,17H,1-4H3,(H,18,19)
InChIKeyUERGDMKAWGUCAM-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.09
Rot. Bonds3

About tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate

tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate (PubChem CID 11739198) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
PubChem CID11739198
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Nametert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
SMILESCNS(=O)(=O)c1cccc2c(NC(=O)OC(C)(C)C)cccc12
InChIInChI=1S/C16H20N2O4S/c1-16(2,3)22-15(19)18-13-9-5-8-12-11(13)7-6-10-14(12)23(20,21)17-4/h5-10,17H,1-4H3,(H,18,19)
InChIKeyUERGDMKAWGUCAM-UHFFFAOYSA-N
XLogP3.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethylethanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-1-sulfonic acid
CID 11441667
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(methylsulfamoyl)phenyl]phenyl]carbamate
CID 67165098
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
tert-butyl N-(1-bromo-5-sulfamoylnaphthalen-2-yl)carbamate
CID 44549792
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(1-benzothiophen-4-yl)carbamate
CID 18542532
tert-butyl N-(2-tert-butylsulfonyl-3-methylphenyl)carbamate
CID 14267498
tert-butyl N-dibenzothiophen-4-ylcarbamate
CID 10946489
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophene-2-carboxylate
CID 142499829
tert-butyl N-(4-nitronaphthalen-1-yl)carbamate
CID 15544597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate (CID 11739198) is tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate is CNS(=O)(=O)c1cccc2c(NC(=O)OC(C)(C)C)cccc12.
What is the InChIKey of tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate?
The InChIKey is UERGDMKAWGUCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-16(2,3)22-15(19)18-13-9-5-8-12-11(13)7-6-10-14(12)23(20,21)17-4/h5-10,17H,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate?
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate has a molecular weight of 336.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate is sourced from PubChem (CID 11739198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).