About N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide
N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide (PubChem CID 46145187) has the molecular formula C26H22ClFN4O2S
and a molecular weight of 509.01 g/mol. Its IUPAC name is N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide.
Molecular Properties
| Compound Name | N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide |
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| PubChem CID | 46145187 |
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| Molecular Formula | C26H22ClFN4O2S |
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| Molecular Weight | 509.01 g/mol |
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| Exact Mass | 508.11 |
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| IUPAC Name | N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide |
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| SMILES | O=C(CN(CC1CC1)C(=O)c1cccs1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1 |
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| InChI | InChI=1S/C26H22ClFN4O2S/c27-20-13-19(10-11-21(20)28)32-15-22(18-5-2-1-3-6-18)29-26(32)30-24(33)16-31(14-17-8-9-17)25(34)23-7-4-12-35-23/h1-7,10-13,15,17H,8-9,14,16H2,(H,29,30,33) |
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| InChIKey | SDRWZMIWLUOFKX-UHFFFAOYSA-N |
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| XLogP | 5.88 |
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| TPSA | 67.23 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 509.01 |
| LogP ≤ 5 | 5.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide (CID 46145187) is N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide is O=C(CN(CC1CC1)C(=O)c1cccs1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide?
The InChIKey is SDRWZMIWLUOFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2S/c27-20-13-19(10-11-21(20)28)32-15-22(18-5-2-1-3-6-18)29-26(32)30-24(33)16-31(14-17-8-9-17)25(34)23-7-4-12-35-23/h1-7,10-13,15,17H,8-9,14,16H2,(H,29,30,33).
What are the key properties of N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide?
N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide has a molecular weight of 509.01 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46145187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).