About N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide
N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 69206749) has the molecular formula C22H19N7O3S3
and a molecular weight of 525.64 g/mol. Its IUPAC name is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide.
Molecular Properties
| Compound Name | N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide |
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| PubChem CID | 69206749 |
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| Molecular Formula | C22H19N7O3S3 |
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| Molecular Weight | 525.64 g/mol |
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| Exact Mass | 525.07 |
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| IUPAC Name | N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide |
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| SMILES | CSc1c(C#N)c(-c2ccc(S(=O)(=O)Nc3ccc(N4C=Nc5occc5C4N)cc3)s2)nn1C |
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| InChI | InChI=1S/C22H19N7O3S3/c1-28-22(33-2)16(11-23)19(26-28)17-7-8-18(34-17)35(30,31)27-13-3-5-14(6-4-13)29-12-25-21-15(20(29)24)9-10-32-21/h3-10,12,20,27H,24H2,1-2H3 |
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| InChIKey | SSLKLPMJBZDWCO-UHFFFAOYSA-N |
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| XLogP | 4.27 |
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| TPSA | 142.54 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 6 |
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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 | 525.64 |
| LogP ≤ 5 | 4.27 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide (CID 69206749) is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide is CSc1c(C#N)c(-c2ccc(S(=O)(=O)Nc3ccc(N4C=Nc5occc5C4N)cc3)s2)nn1C.
What is the InChIKey of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is SSLKLPMJBZDWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O3S3/c1-28-22(33-2)16(11-23)19(26-28)17-7-8-18(34-17)35(30,31)27-13-3-5-14(6-4-13)29-12-25-21-15(20(29)24)9-10-32-21/h3-10,12,20,27H,24H2,1-2H3.
What are the key properties of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide?
N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 525.64 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(4-cyano-1-methyl-5-methylsulfanylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 69206749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).