N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C20H18F2N4O4S — CID 118293523

IUPACN-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1cc(F)c(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)cc1F
InChIInChI=1S/C20H18F2N4O4S/c1-11-17(26-31(28,29)19-9-15(21)18(30-3)8-16(19)22)6-14(10-24-11)13-4-5-23-20(7-13)25-12(2)27/h4-10,26H,1-3H3,(H,23,25,27)
InChIKeyQTSWYKGVPUDXHX-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293523) has the molecular formula C20H18F2N4O4S and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293523
Molecular FormulaC20H18F2N4O4S
Molecular Weight448.45 g/mol
Exact Mass448.10
IUPAC NameN-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1cc(F)c(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)cc1F
InChIInChI=1S/C20H18F2N4O4S/c1-11-17(26-31(28,29)19-9-15(21)18(30-3)8-16(19)22)6-14(10-24-11)13-4-5-23-20(7-13)25-12(2)27/h4-10,26H,1-3H3,(H,23,25,27)
InChIKeyQTSWYKGVPUDXHX-UHFFFAOYSA-N
XLogP3.50
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293523) is N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is COc1cc(F)c(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)cc1F.
What is the InChIKey of N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is QTSWYKGVPUDXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4S/c1-11-17(26-31(28,29)19-9-15(21)18(30-3)8-16(19)22)6-14(10-24-11)13-4-5-23-20(7-13)25-12(2)27/h4-10,26H,1-3H3,(H,23,25,27).
What are the key properties of N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 448.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2,5-difluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).