About 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 11341389) has the molecular formula C24H25ClN2O5S2
and a molecular weight of 521.06 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid.
Molecular Properties
| Compound Name | 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid |
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| PubChem CID | 11341389 |
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| Molecular Formula | C24H25ClN2O5S2 |
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| Molecular Weight | 521.06 g/mol |
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| Exact Mass | 520.09 |
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| IUPAC Name | 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid |
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| SMILES | CN(C)CCOc1ccccc1C1CC1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O |
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| InChI | InChI=1S/C24H25ClN2O5S2/c1-27(2)13-14-32-20-6-4-3-5-18(20)19-15-24(19,23(28)29)26-34(30,31)22-12-11-21(33-22)16-7-9-17(25)10-8-16/h3-12,19,26H,13-15H2,1-2H3,(H,28,29) |
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| InChIKey | ZFDVHXAFKBQRHL-UHFFFAOYSA-N |
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| XLogP | 4.30 |
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| TPSA | 95.94 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 521.06 |
| LogP ≤ 5 | 4.30 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid (CID 11341389) is 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid is CN(C)CCOc1ccccc1C1CC1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O.
What is the InChIKey of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZFDVHXAFKBQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S2/c1-27(2)13-14-32-20-6-4-3-5-18(20)19-15-24(19,23(28)29)26-34(30,31)22-12-11-21(33-22)16-7-9-17(25)10-8-16/h3-12,19,26H,13-15H2,1-2H3,(H,28,29).
What are the key properties of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid?
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 521.06 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 11341389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).