N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C19H15F2N5O3S2 — CID 141471200

IUPACN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H15F2N5O3S2/c1-9-12-7-15(30-18(12)25-19(22)24-9)10-5-14(17(29-2)23-8-10)26-31(27,28)16-4-3-11(20)6-13(16)21/h3-8,26H,1-2H3,(H2,22,24,25)
InChIKeyVAWUMMRNRUYZAS-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.73
Rot. Bonds5

About N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 141471200) has the molecular formula C19H15F2N5O3S2 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID141471200
Molecular FormulaC19H15F2N5O3S2
Molecular Weight463.49 g/mol
Exact Mass463.06
IUPAC NameN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H15F2N5O3S2/c1-9-12-7-15(30-18(12)25-19(22)24-9)10-5-14(17(29-2)23-8-10)26-31(27,28)16-4-3-11(20)6-13(16)21/h3-8,26H,1-2H3,(H2,22,24,25)
InChIKeyVAWUMMRNRUYZAS-UHFFFAOYSA-N
XLogP3.73
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 78426978
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CID 118321317
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CID 118321318
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CID 122178117
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CID 122178118
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CID 122178119
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CID 122178120

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 141471200) is N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is VAWUMMRNRUYZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3S2/c1-9-12-7-15(30-18(12)25-19(22)24-9)10-5-14(17(29-2)23-8-10)26-31(27,28)16-4-3-11(20)6-13(16)21/h3-8,26H,1-2H3,(H2,22,24,25).
What are the key properties of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 463.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 141471200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).