N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

C21H18F2N4O5S — CID 158422873

IUPACN-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCOc1cc(F)c(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)c(F)c1
InChIInChI=1S/C21H18F2N4O5S/c1-11(28)27-33(30,31)14-5-3-12(4-6-14)7-18(29)20-21(24)25-10-17(26-20)19-15(22)8-13(32-2)9-16(19)23/h3-6,8-10H,7H2,1-2H3,(H2,24,25)(H,27,28)
InChIKeyJUOKVOHUPRSNBZ-UHFFFAOYSA-N
MW476.46 g/mol
LogP2.26
Rot. Bonds7

About N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 158422873) has the molecular formula C21H18F2N4O5S and a molecular weight of 476.46 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID158422873
Molecular FormulaC21H18F2N4O5S
Molecular Weight476.46 g/mol
Exact Mass476.10
IUPAC NameN-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCOc1cc(F)c(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)c(F)c1
InChIInChI=1S/C21H18F2N4O5S/c1-11(28)27-33(30,31)14-5-3-12(4-6-14)7-18(29)20-21(24)25-10-17(26-20)19-15(22)8-13(32-2)9-16(19)23/h3-6,8-10H,7H2,1-2H3,(H2,24,25)(H,27,28)
InChIKeyJUOKVOHUPRSNBZ-UHFFFAOYSA-N
XLogP2.26
TPSA141.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10052336
[3-(Benzenesulfonyl)-2-(4-methoxyphenyl)imidazol-4-yl]-(4-fluorophenyl)methanone
CID 52947946
3-amino-N-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10006844
3-amino-N-(3-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10459291
N-methyl-5-[3-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-yl]pyrazine-2-carboxamide
CID 54586070
3-amino-6-[4-methoxy-3-(phenylsulfamoyl)phenyl]-N-methylpyrazine-2-carboxamide
CID 60155471
3-Amino-6-(4-methoxyphenyl)-n-phenylpyrazine-2-carboxamide
CID 46834571
2-[benzenesulfonyl(methyl)amino]-N-[5-(4-fluorophenyl)-6-(furan-2-yl)pyrazin-2-yl]acetamide
CID 172437062
N-[6-(4-methoxyphenyl)-5-(3-methylphenyl)pyrazin-2-yl]-4-sulfamoylbenzamide
CID 172438116
5-Amino-24-methyl-25,25-dioxo-15,18,21-trioxa-25lambda6-thia-4,8,24,31-tetrazatetracyclo[24.2.2.12,6.09,14]hentriaconta-1(29),2,4,6(31),9,11,13,26(30),27-nonaen-7-one
CID 121276199
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonyl-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10166912
3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10228597

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 158422873) is N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is COc1cc(F)c(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)c(F)c1.
What is the InChIKey of N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is JUOKVOHUPRSNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O5S/c1-11(28)27-33(30,31)14-5-3-12(4-6-14)7-18(29)20-21(24)25-10-17(26-20)19-15(22)8-13(32-2)9-16(19)23/h3-6,8-10H,7H2,1-2H3,(H2,24,25)(H,27,28).
What are the key properties of N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 476.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-6-(2,6-difluoro-4-methoxyphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 158422873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).