N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C23H26FN5O4S — CID 155464315

IUPACN-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cncc(N(C)C)n2)ccn1
InChIInChI=1S/C23H26FN5O4S/c1-14(2)17-9-16(24)10-18(15-6-7-26-22(8-15)33-5)19(17)11-21(30)28-34(31,32)23-13-25-12-20(27-23)29(3)4/h6-10,12-14H,11H2,1-5H3,(H,28,30)
InChIKeyZKZKSMIRPFIQDZ-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.92
Rot. Bonds8

About N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155464315) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155464315
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC NameN-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cncc(N(C)C)n2)ccn1
InChIInChI=1S/C23H26FN5O4S/c1-14(2)17-9-16(24)10-18(15-6-7-26-22(8-15)33-5)19(17)11-21(30)28-34(31,32)23-13-25-12-20(27-23)29(3)4/h6-10,12-14H,11H2,1-5H3,(H,28,30)
InChIKeyZKZKSMIRPFIQDZ-UHFFFAOYSA-N
XLogP2.92
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293562
US11530200, Example 20
CID 155464077
US11530200, Example 3
CID 155464180
16,16-Dimethyl-11,11-dioxo-6-propan-2-yl-18-oxa-11lambda6-thia-10,13,15,20-tetrazatetracyclo[17.3.1.112,15.02,7]tetracosa-1(23),2(7),3,5,12(24),13,19,21-octaen-9-one
CID 156107108
N-[(6-amino-2-pyridinyl)sulfonyl]-5-(3-fluoro-5-methoxyphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252648
1-[5-(Dimethylamino)pyrazin-2-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea
CID 137500073
1-[6-(Dimethylamino)pyrazin-2-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea
CID 137500406
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-(4-propan-2-ylphenyl)sulfonylacetamide
CID 150743245
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]propanamide
CID 152104772
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155411178
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(4-hydroxy-1,3-dimethyl-2-oxo-4H-pyrimidin-5-yl)sulfonyl]acetamide
CID 155421048
N-(2,4-difluoro-5-propan-2-ylphenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155463730

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155464315) is N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cncc(N(C)C)n2)ccn1.
What is the InChIKey of N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is ZKZKSMIRPFIQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-14(2)17-9-16(24)10-18(15-6-7-26-22(8-15)33-5)19(17)11-21(30)28-34(31,32)23-13-25-12-20(27-23)29(3)4/h6-10,12-14H,11H2,1-5H3,(H,28,30).
What are the key properties of N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 487.56 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155464315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).