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

C20H19FN4O4S — CID 118293549

IUPACN-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)c(F)c1
InChIInChI=1S/C20H19FN4O4S/c1-12-18(25-30(27,28)19-5-4-16(29-3)10-17(19)21)8-15(11-23-12)14-6-7-22-20(9-14)24-13(2)26/h4-11,25H,1-3H3,(H,22,24,26)
InChIKeySCNZBXRUCAVCLV-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.36
Rot. Bonds6

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

N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293549) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293549
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC NameN-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)c(F)c1
InChIInChI=1S/C20H19FN4O4S/c1-12-18(25-30(27,28)19-5-4-16(29-3)10-17(19)21)8-15(11-23-12)14-6-7-22-20(9-14)24-13(2)26/h4-11,25H,1-3H3,(H,22,24,26)
InChIKeySCNZBXRUCAVCLV-UHFFFAOYSA-N
XLogP3.36
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 123714762
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293605
2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118249359
N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 163420371
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[6-methoxy-5-(phenylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293464
N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118249308
N-[4-[5-[(2,5-dichlorophenyl)sulfonylamino]-6-ethyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785688
2,4-difluoro-N-(2-hydroxy-5-methoxyphenyl)benzenesulfonamide
CID 103760220
N-[4-[6-methoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-3-pyridinyl]-2-pyridinyl]acetamide
CID 118249429
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293549) is N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is COc1ccc(S(=O)(=O)Nc2cc(-c3ccnc(NC(C)=O)c3)cnc2C)c(F)c1.
What is the InChIKey of N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is SCNZBXRUCAVCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-12-18(25-30(27,28)19-5-4-16(29-3)10-17(19)21)8-15(11-23-12)14-6-7-22-20(9-14)24-13(2)26/h4-11,25H,1-3H3,(H,22,24,26).
What are the key properties of N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 3.36, 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-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).