N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide

C26H22FN5O3S — CID 170396857

IUPACN-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide
SMILESCN(c1ccc(-c2ccc3nc(NS(C)(=O)=O)cnc3c2)cc1)c1cc(F)c(OC2CC2)c(C#N)c1
InChIInChI=1S/C26H22FN5O3S/c1-32(20-11-18(14-28)26(22(27)13-20)35-21-8-9-21)19-6-3-16(4-7-19)17-5-10-23-24(12-17)29-15-25(30-23)31-36(2,33)34/h3-7,10-13,15,21H,8-9H2,1-2H3,(H,30,31)
InChIKeyPEJFOJNSFZESRK-UHFFFAOYSA-N
MW503.56 g/mol
LogP4.99
Rot. Bonds7

About N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide

N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide (PubChem CID 170396857) has the molecular formula C26H22FN5O3S and a molecular weight of 503.56 g/mol. Its IUPAC name is N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide
PubChem CID170396857
Molecular FormulaC26H22FN5O3S
Molecular Weight503.56 g/mol
Exact Mass503.14
IUPAC NameN-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide
SMILESCN(c1ccc(-c2ccc3nc(NS(C)(=O)=O)cnc3c2)cc1)c1cc(F)c(OC2CC2)c(C#N)c1
InChIInChI=1S/C26H22FN5O3S/c1-32(20-11-18(14-28)26(22(27)13-20)35-21-8-9-21)19-6-3-16(4-7-19)17-5-10-23-24(12-17)29-15-25(30-23)31-36(2,33)34/h3-7,10-13,15,21H,8-9H2,1-2H3,(H,30,31)
InChIKeyPEJFOJNSFZESRK-UHFFFAOYSA-N
XLogP4.99
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide with MolForge

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Related Compounds

8-[[(4aR,6S,11bS)-2-amino-11b-(fluoromethyl)-3,3,6-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-10-yl]amino]-1,7-naphthyridine-3-carbonitrile
CID 90307358
N-[6-[5-tert-butyl-3-(2,4-dioxopyrimidin-1-yl)-2-fluoro-6-methoxyphenyl]quinoxalin-2-yl]methanesulfonamide
CID 118612753
8-[[(4aR,11bR)-2-amino-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-10-yl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
CID 121266604
5-[4-(2-aminoquinoxalin-6-yl)-N-(2,2,2-trifluoroethyl)anilino]-2-cyclopropyloxy-3-fluorobenzonitrile;methanesulfinate
CID 169251798
N-[6-[4-[3-chloro-4-(2-chloroethoxy)-5-cyano-N-(2,2,2-trifluoroethyl)anilino]phenyl]quinoxalin-2-yl]methanesulfonamide
CID 169251812
5-[[1-(2-Aminoquinoxalin-6-yl)piperidin-4-yl]-(2,2,2-trifluoroethyl)amino]-2-(2-chloroethoxy)-3-methylbenzonitrile;ethane;methanesulfinate;propane
CID 169251822
N-[6-[4-[4-(2-chloroethoxy)-3-cyano-5-fluorophenoxy]phenyl]quinoxalin-2-yl]methanesulfonamide
CID 169251850
[[6-[4-[3-Cyano-4-cyclopropyloxy-5-(trifluoromethyl)phenoxy]phenyl]quinoxalin-2-yl]amino]-hydroxy-methyl-sulfanylazanium
CID 169251881
N-[6-[4-[4-(2-chloroethoxy)-3-cyano-5-fluorophenoxy]phenyl]quinoxalin-2-yl]-1-[2-[2-cyano-6-fluoro-4-[4-[2-(methanesulfonamido)quinoxalin-6-yl]phenoxy]phenoxy]cyclopropyl]methanesulfonamide
CID 169251913
2-cyclopropyloxy-5-[4-[2-(methylamino)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)anilino]pyridine-3-carbonitrile;methanesulfinate
CID 169251960
5-[4-(2-aminoquinoxalin-6-yl)-N-(2,2,2-trifluoroethyl)anilino]-2-(2-chloroethoxy)-3-methylbenzonitrile;ethane;methanesulfinate
CID 169251973
N-[6-[4-[3-chloro-5-cyano-4-cyclopropyloxy-N-(2,2,2-trifluoroethyl)anilino]phenyl]quinoxalin-2-yl]methanesulfonamide
CID 169252008

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide (CID 170396857) is N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide is CN(c1ccc(-c2ccc3nc(NS(C)(=O)=O)cnc3c2)cc1)c1cc(F)c(OC2CC2)c(C#N)c1.
What is the InChIKey of N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide?
The InChIKey is PEJFOJNSFZESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3S/c1-32(20-11-18(14-28)26(22(27)13-20)35-21-8-9-21)19-6-3-16(4-7-19)17-5-10-23-24(12-17)29-15-25(30-23)31-36(2,33)34/h3-7,10-13,15,21H,8-9H2,1-2H3,(H,30,31).
What are the key properties of N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide?
N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide has a molecular weight of 503.56 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-cyano-4-cyclopropyloxy-5-fluoro-N-methylanilino)phenyl]quinoxalin-2-yl]methanesulfonamide is sourced from PubChem (CID 170396857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).