tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate

C17H20N2O4S — CID 101179640

IUPACtert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-17(2,3)23-16(20)19(15-12-8-5-9-13-15)24(21,22)18-14-10-6-4-7-11-14/h4-13,18H,1-3H3
InChIKeyTXMHSBIFOHSOAZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.79
Rot. Bonds4

About tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate

tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate (PubChem CID 101179640) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate
PubChem CID101179640
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nametert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-17(2,3)23-16(20)19(15-12-8-5-9-13-15)24(21,22)18-14-10-6-4-7-11-14/h4-13,18H,1-3H3
InChIKeyTXMHSBIFOHSOAZ-UHFFFAOYSA-N
XLogP3.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylhydrazinyl]anilino]-N-phenylcarbamate
CID 102187327
tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate
CID 11089738
tert-butyl N-[(4-ethylphenyl)sulfamoyl]-N-methylcarbamate
CID 70317215
tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
CID 69487497
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]benzoate
CID 7022399
phenyl(phenylsulfamoyl)sulfamic acid
CID 70599428
tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
CID 174804063
benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 15499636
tert-butyl N-benzoyl-N-(chloroamino)carbamate
CID 86607133
tert-butyl N-(benzenesulfonyl)-N-[3-[(E)-5-iodopent-1-enyl]phenyl]carbamate
CID 156812612
phenylsulfamic acid
CID 160771078
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate?
The IUPAC name of tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate (CID 101179640) is tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate.
What is the SMILES notation for tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate?
The canonical SMILES for tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate is CC(C)(C)OC(=O)N(c1ccccc1)S(=O)(=O)Nc1ccccc1.
What is the InChIKey of tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate?
The InChIKey is TXMHSBIFOHSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-17(2,3)23-16(20)19(15-12-8-5-9-13-15)24(21,22)18-14-10-6-4-7-11-14/h4-13,18H,1-3H3.
What are the key properties of tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate?
tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate has a molecular weight of 348.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate is sourced from PubChem (CID 101179640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).