tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate

C24H25NO6S — CID 54131327

IUPACtert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cc(O)ccc1OCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25NO6S/c1-24(2,3)31-23(27)25(32(28,29)20-12-8-5-9-13-20)21-16-19(26)14-15-22(21)30-17-18-10-6-4-7-11-18/h4-16,26H,17H2,1-3H3
InChIKeyNUOWOFSEYFACDK-UHFFFAOYSA-N
MW455.53 g/mol
LogP5.10
Rot. Bonds6

About tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate

tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate (PubChem CID 54131327) has the molecular formula C24H25NO6S and a molecular weight of 455.53 g/mol. Its IUPAC name is tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate
PubChem CID54131327
Molecular FormulaC24H25NO6S
Molecular Weight455.53 g/mol
Exact Mass455.14
IUPAC Nametert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1cc(O)ccc1OCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25NO6S/c1-24(2,3)31-23(27)25(32(28,29)20-12-8-5-9-13-20)21-16-19(26)14-15-22(21)30-17-18-10-6-4-7-11-18/h4-16,26H,17H2,1-3H3
InChIKeyNUOWOFSEYFACDK-UHFFFAOYSA-N
XLogP5.10
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycine
CID 1098069
1,1,1-trifluoro-N-(5-hydroxy-2-phenylmethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 54499915
tert-butyl N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]-3-phenylmethoxyphenyl]carbamate
CID 92008849
N-(2,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 125639064
N-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 125639965
N-(2,5-dimethoxyphenyl)-2-{4-[(2-phenylethyl)sulfamoyl]phenoxy}acetamide
CID 1314497
N-(2,5-dimethoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 100460578
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide
CID 998198
4-benzyloxy-3-(N-tert-butoxycarbonyl-N-methylsulfonylamino)-1-((2S)-2,3-epoxypropoxy)benzene
CID 11201748
3-(N-methylsulfonyl-N-tert-butoxycarbonylamino)-4-benzyloxy-1-(2,3-epoxypropoxy)-benzene
CID 11465077
N-benzyl-N-(5-hydroxy-2-phenylmethoxyphenyl)methanesulfonamide
CID 12363889
4-Benzyloxy-3-(N-methylsulphonyl-N-benzylamino)phenyl acetate
CID 12363926

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate (CID 54131327) is tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate is CC(C)(C)OC(=O)N(c1cc(O)ccc1OCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate?
The InChIKey is NUOWOFSEYFACDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6S/c1-24(2,3)31-23(27)25(32(28,29)20-12-8-5-9-13-20)21-16-19(26)14-15-22(21)30-17-18-10-6-4-7-11-18/h4-16,26H,17H2,1-3H3.
What are the key properties of tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate?
tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate has a molecular weight of 455.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(benzenesulfonyl)-N-(5-hydroxy-2-phenylmethoxyphenyl)carbamate is sourced from PubChem (CID 54131327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).