ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate

C23H28N4O5S — CID 91152794

IUPACethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C(C)(C)C)nc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21
InChIInChI=1S/C23H28N4O5S/c1-6-32-21(29)14-27-20-12-9-17(13-19(20)25-22(27)23(3,4)5)26-33(30,31)18-10-7-16(8-11-18)24-15(2)28/h7-13,26H,6,14H2,1-5H3,(H,24,28)
InChIKeyPEZFNVNCTZEWGY-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.66
Rot. Bonds7

About ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate

ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate (PubChem CID 91152794) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate
PubChem CID91152794
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Nameethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C(C)(C)C)nc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21
InChIInChI=1S/C23H28N4O5S/c1-6-32-21(29)14-27-20-12-9-17(13-19(20)25-22(27)23(3,4)5)26-33(30,31)18-10-7-16(8-11-18)24-15(2)28/h7-13,26H,6,14H2,1-5H3,(H,24,28)
InChIKeyPEZFNVNCTZEWGY-UHFFFAOYSA-N
XLogP3.66
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[1-[[(4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-tert-butylbenzimidazol-5-yl]sulfamoyl]phenyl]acetamide
CID 69260367
2-[5-[(4-acetamidophenyl)sulfonylamino]-2-ethylbenzimidazol-1-yl]ethyl methanesulfonate
CID 143022326
N-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]benzenesulfonamide
CID 11166194
tert-butyl 2-[2-[(E)-but-1-enyl]-5-[(4-fluorophenyl)sulfonylamino]benzimidazol-1-yl]acetate
CID 67202037
N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
CID 143022132
N-[4-[1-[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 90732105
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485
N-[4-[[4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 42474727
N-[4-[(2-ethoxy-4,6-dimethylpyrimidin-5-yl)sulfamoyl]phenyl]acetamide
CID 122355933
N-[4-[(4-amino-3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 8538672
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]ethanesulfonamide;sulfuric acid
CID 24785648
ethyl 2-[4-[[(4-acetamidophenyl)sulfonylamino]methyl]triazol-1-yl]acetate
CID 102512129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate (CID 91152794) is ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate is CCOC(=O)Cn1c(C(C)(C)C)nc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21.
What is the InChIKey of ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate?
The InChIKey is PEZFNVNCTZEWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-6-32-21(29)14-27-20-12-9-17(13-19(20)25-22(27)23(3,4)5)26-33(30,31)18-10-7-16(8-11-18)24-15(2)28/h7-13,26H,6,14H2,1-5H3,(H,24,28).
What are the key properties of ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate?
ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate has a molecular weight of 472.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate is sourced from PubChem (CID 91152794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).