ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate

C26H27N3O4S — CID 22465006

IUPACethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc2[nH]c(CCc3ccccc3)nc12
InChIInChI=1S/C26H27N3O4S/c1-2-33-25(30)18-23(29-34(31,32)20-12-7-4-8-13-20)21-14-9-15-22-26(21)28-24(27-22)17-16-19-10-5-3-6-11-19/h3-15,23,29H,2,16-18H2,1H3,(H,27,28)
InChIKeyUECWUWQECHMUAP-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.32
Rot. Bonds10

About ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate

ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate (PubChem CID 22465006) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate
PubChem CID22465006
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Nameethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate
SMILESCCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc2[nH]c(CCc3ccccc3)nc12
InChIInChI=1S/C26H27N3O4S/c1-2-33-25(30)18-23(29-34(31,32)20-12-7-4-8-13-20)21-14-9-15-22-26(21)28-24(27-22)17-16-19-10-5-3-6-11-19/h3-15,23,29H,2,16-18H2,1H3,(H,27,28)
InChIKeyUECWUWQECHMUAP-UHFFFAOYSA-N
XLogP4.32
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate
CID 22464951
3-amino-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoic acid
CID 139809523
ethyl 3-hydroxy-3-[6-hydroxy-2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate
CID 22464950
ethyl (E)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]prop-2-enoate
CID 22464991
methyl 2-(2-phenylethyl)-1H-benzimidazole-4-carboxylate
CID 115357526
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
ethyl 3-[3-[[3-(1-aminoethenylamino)phenyl]sulfonylamino]phenyl]-3-(benzenesulfonamido)propanoate
CID 21134133
ethyl 3-(2-ethoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 174236136
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7045147
ethyl (3S)-3-(2-chlorophenyl)-3-(4-phenylbutanoylamino)propanoate
CID 7310535
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate?
The IUPAC name of ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate (CID 22465006) is ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate is CCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc2[nH]c(CCc3ccccc3)nc12.
What is the InChIKey of ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate?
The InChIKey is UECWUWQECHMUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-2-33-25(30)18-23(29-34(31,32)20-12-7-4-8-13-20)21-14-9-15-22-26(21)28-24(27-22)17-16-19-10-5-3-6-11-19/h3-15,23,29H,2,16-18H2,1H3,(H,27,28).
What are the key properties of ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate?
ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate has a molecular weight of 477.59 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(benzenesulfonamido)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoate is sourced from PubChem (CID 22465006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).