About N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide
N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 154647143) has the molecular formula C32H25ClF3NO4S
and a molecular weight of 612.07 g/mol. Its IUPAC name is N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide.
Molecular Properties
| Compound Name | N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide |
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| PubChem CID | 154647143 |
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| Molecular Formula | C32H25ClF3NO4S |
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| Molecular Weight | 612.07 g/mol |
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| Exact Mass | 611.11 |
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| IUPAC Name | N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide |
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| SMILES | Cc1ccc2ccccc2c1C(=O)N(Cc1ccc(C(F)(F)F)o1)Cc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl |
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| InChI | InChI=1S/C32H25ClF3NO4S/c1-20-10-11-21-6-3-4-9-27(21)30(20)31(38)37(19-25-14-15-29(41-25)32(34,35)36)18-24-13-12-23(17-28(24)33)22-7-5-8-26(16-22)42(2,39)40/h3-17H,18-19H2,1-2H3 |
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| InChIKey | KCSFPDAMGBIPMP-UHFFFAOYSA-N |
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| XLogP | 8.33 |
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| TPSA | 67.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 612.07 |
| LogP ≤ 5 | 8.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide (CID 154647143) is N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide is Cc1ccc2ccccc2c1C(=O)N(Cc1ccc(C(F)(F)F)o1)Cc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl.
What is the InChIKey of N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is KCSFPDAMGBIPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClF3NO4S/c1-20-10-11-21-6-3-4-9-27(21)30(20)31(38)37(19-25-14-15-29(41-25)32(34,35)36)18-24-13-12-23(17-28(24)33)22-7-5-8-26(16-22)42(2,39)40/h3-17H,18-19H2,1-2H3.
What are the key properties of N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide?
N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 612.07 g/mol, XLogP of 8.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(3-methylsulfonylphenyl)phenyl]methyl]-2-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 154647143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).