tert-butyl N-(2-phenylsulfanylphenyl)carbamate

C17H19NO2S — CID 12668805

IUPACtert-butyl N-(2-phenylsulfanylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-17(2,3)20-16(19)18-14-11-7-8-12-15(14)21-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19)
InChIKeyXYIWKFXUWJLRKO-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.18
Rot. Bonds3

About tert-butyl N-(2-phenylsulfanylphenyl)carbamate

tert-butyl N-(2-phenylsulfanylphenyl)carbamate (PubChem CID 12668805) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is tert-butyl N-(2-phenylsulfanylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenylsulfanylphenyl)carbamate
PubChem CID12668805
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Nametert-butyl N-(2-phenylsulfanylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-17(2,3)20-16(19)18-14-11-7-8-12-15(14)21-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19)
InChIKeyXYIWKFXUWJLRKO-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
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CID 102449138
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-[2-[bromo(hydroxy)methyl]phenyl]carbamate
CID 172603488
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
1-O-tert-butyl 4-O-[2-oxo-2-(2-phenylsulfanylanilino)ethyl] piperidine-1,4-dicarboxylate
CID 46826973
tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate
CID 11179384
propyl 2-[(2-phenylsulfanylphenyl)carbamoyloxy]prop-2-enoate
CID 175067158
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenylsulfanylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-phenylsulfanylphenyl)carbamate (CID 12668805) is tert-butyl N-(2-phenylsulfanylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenylsulfanylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenylsulfanylphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of tert-butyl N-(2-phenylsulfanylphenyl)carbamate?
The InChIKey is XYIWKFXUWJLRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-17(2,3)20-16(19)18-14-11-7-8-12-15(14)21-13-9-5-4-6-10-13/h4-12H,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(2-phenylsulfanylphenyl)carbamate?
tert-butyl N-(2-phenylsulfanylphenyl)carbamate has a molecular weight of 301.41 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenylsulfanylphenyl)carbamate is sourced from PubChem (CID 12668805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).