tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate

C23H30N2O5S — CID 71914932

IUPACtert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O5S/c1-22(2,3)25-31(28,29)18-14-12-17(13-15-18)20(26)24-19(16-10-8-7-9-11-16)21(27)30-23(4,5)6/h7-15,19,25H,1-6H3,(H,24,26)/t19-/m0/s1
InChIKeyGJDPJVMZPQAPOZ-IBGZPJMESA-N
MW446.57 g/mol
LogP3.58
Rot. Bonds6

About tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate

tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate (PubChem CID 71914932) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate
PubChem CID71914932
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Nametert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O5S/c1-22(2,3)25-31(28,29)18-14-12-17(13-15-18)20(26)24-19(16-10-8-7-9-11-16)21(27)30-23(4,5)6/h7-15,19,25H,1-6H3,(H,24,26)/t19-/m0/s1
InChIKeyGJDPJVMZPQAPOZ-IBGZPJMESA-N
XLogP3.58
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119113387
4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
CID 24547890
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate
CID 81005292
tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
CID 115539468
tert-butyl (2R)-2-(difluoromethylsulfonylamino)-2-phenylacetate
CID 80999965
tert-butyl (2R)-2-(3-methylbut-2-enoylamino)-2-phenylacetate
CID 80997776
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
4-(tert-butylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51314571
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441
tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate?
The IUPAC name of tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate (CID 71914932) is tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate.
What is the SMILES notation for tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate?
The canonical SMILES for tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate?
The InChIKey is GJDPJVMZPQAPOZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-22(2,3)25-31(28,29)18-14-12-17(13-15-18)20(26)24-19(16-10-8-7-9-11-16)21(27)30-23(4,5)6/h7-15,19,25H,1-6H3,(H,24,26)/t19-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate?
tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate has a molecular weight of 446.57 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate is sourced from PubChem (CID 71914932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).