benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid

C24H26N2O4S — CID 67848975

IUPACbenzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid
SMILESCC(C)(C)c1ccccc1N(C(=O)O)S(=O)(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-24(2,3)20-16-10-11-17-21(20)26(23(27)28)31(29,30)25-22(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17,22,25H,1-3H3,(H,27,28)
InChIKeyZRZOLELYFNTROW-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.09
Rot. Bonds6

About benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid

benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid (PubChem CID 67848975) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid.

Molecular Properties

Compound Namebenzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid
PubChem CID67848975
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Namebenzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid
SMILESCC(C)(C)c1ccccc1N(C(=O)O)S(=O)(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-24(2,3)20-16-10-11-17-21(20)26(23(27)28)31(29,30)25-22(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17,22,25H,1-3H3,(H,27,28)
InChIKeyZRZOLELYFNTROW-UHFFFAOYSA-N
XLogP5.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
N-[(3,5-ditert-butyl-4-hydroxyphenyl)-phenylmethyl]acetamide
CID 139761934
1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene
CID 73038177
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 24843635
2-(2-tert-butylanilino)-2-phenylacetic acid
CID 103254668
2,6-ditert-butyl-4-[methylamino(phenyl)methyl]phenol
CID 139761917
[4-(benzhydrylsulfamoyl)-2,6-ditert-butyl-3-methylphenyl] carbamate
CID 10229244
2-(benzhydrylamino)-2-methylpropanoic acid
CID 174216539
N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide
CID 139115648
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
1-(2-tert-butyl-N-methylanilino)propan-2-one
CID 117029491

Frequently Asked Questions

What is the IUPAC name of benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid?
The IUPAC name of benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid (CID 67848975) is benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid.
What is the SMILES notation for benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid?
The canonical SMILES for benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid is CC(C)(C)c1ccccc1N(C(=O)O)S(=O)(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid?
The InChIKey is ZRZOLELYFNTROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-24(2,3)20-16-10-11-17-21(20)26(23(27)28)31(29,30)25-22(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-17,22,25H,1-3H3,(H,27,28).
What are the key properties of benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid?
benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid has a molecular weight of 438.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylsulfamoyl-(2-tert-butylphenyl)carbamic acid is sourced from PubChem (CID 67848975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).