About 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole (PubChem CID 24825376) has the molecular formula C31H39N5O3S2
and a molecular weight of 593.82 g/mol. Its IUPAC name is 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole.
Molecular Properties
| Compound Name | 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole |
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| PubChem CID | 24825376 |
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| Molecular Formula | C31H39N5O3S2 |
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| Molecular Weight | 593.82 g/mol |
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| Exact Mass | 593.25 |
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| IUPAC Name | 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole |
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| SMILES | CCN([C@@H]1CCN(C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1[nH]c(-c2cccs2)nc1-c1ccc(OC)cc1 |
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| InChI | InChI=1S/C31H39N5O3S2/c1-5-36(25-18-20-35(22-25)31(2,3)24-10-7-6-8-11-24)41(37,38)32-19-17-27-29(23-13-15-26(39-4)16-14-23)34-30(33-27)28-12-9-21-40-28/h6-16,21,25,32H,5,17-20,22H2,1-4H3,(H,33,34)/t25-/m1/s1 |
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| InChIKey | KRUUPTAWGRLNOD-RUZDIDTESA-N |
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| XLogP | 5.52 |
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| TPSA | 90.56 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 593.82 |
| LogP ≤ 5 | 5.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole?
The IUPAC name of 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole (CID 24825376) is 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole.
What is the SMILES notation for 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole?
The canonical SMILES for 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole is CCN([C@@H]1CCN(C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1[nH]c(-c2cccs2)nc1-c1ccc(OC)cc1.
What is the InChIKey of 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole?
The InChIKey is KRUUPTAWGRLNOD-RUZDIDTESA-N. The full InChI is InChI=1S/C31H39N5O3S2/c1-5-36(25-18-20-35(22-25)31(2,3)24-10-7-6-8-11-24)41(37,38)32-19-17-27-29(23-13-15-26(39-4)16-14-23)34-30(33-27)28-12-9-21-40-28/h6-16,21,25,32H,5,17-20,22H2,1-4H3,(H,33,34)/t25-/m1/s1.
What are the key properties of 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole?
5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole has a molecular weight of 593.82 g/mol, XLogP of 5.52, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[ethyl-[(3R)-1-(2-phenylpropan-2-yl)pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole is sourced from PubChem (CID 24825376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).