N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide

C28H26FN3O6S2 — CID 155457846

IUPACN-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3cc(-c4cc(OC)on4)sc23)c1
InChIInChI=1S/C28H26FN3O6S2/c1-6-40(34,35)31-18-7-8-23(37-26-15(2)9-17(29)10-16(26)3)19(11-18)21-14-32(4)28(33)20-12-24(39-27(20)21)22-13-25(36-5)38-30-22/h7-14,31H,6H2,1-5H3
InChIKeyCSYAUGLTDNPDQP-UHFFFAOYSA-N
MW583.66 g/mol
LogP6.24
Rot. Bonds8

About N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide

N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide (PubChem CID 155457846) has the molecular formula C28H26FN3O6S2 and a molecular weight of 583.66 g/mol. Its IUPAC name is N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
PubChem CID155457846
Molecular FormulaC28H26FN3O6S2
Molecular Weight583.66 g/mol
Exact Mass583.12
IUPAC NameN-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3cc(-c4cc(OC)on4)sc23)c1
InChIInChI=1S/C28H26FN3O6S2/c1-6-40(34,35)31-18-7-8-23(37-26-15(2)9-17(29)10-16(26)3)19(11-18)21-14-32(4)28(33)20-12-24(39-27(20)21)22-13-25(36-5)38-30-22/h7-14,31H,6H2,1-5H3
InChIKeyCSYAUGLTDNPDQP-UHFFFAOYSA-N
XLogP6.24
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.66
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide with MolForge

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Related Compounds

N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[5-methyl-2-(3-methyl-1,2-oxazol-5-yl)-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
CID 155457801
N-[3-[2-(3,3-difluoropiperidine-1-carbonyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]ethanesulfonamide
CID 155457752
N-[4-(2,4-difluorophenoxy)-3-[6-methyl-2-(3-methyl-1,2-oxazol-5-yl)-7-oxothieno[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 155457764
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
CID 155457492
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
N-[4-(2,4-difluorophenoxy)-3-[2-(4,4-difluoropiperidine-1-carbonyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
CID 155457548
2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[5-(ethylsulfanylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-6-methylthieno[2,3-c]pyridin-7-one
CID 155571973
N-[3-(5-methyl-4-oxothieno[3,2-c]pyridin-7-yl)-4-(4-methylphenoxy)phenyl]ethanesulfonamide
CID 170335458
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-[1,3]oxazolo[5,4-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 118028184
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-2-propan-2-yloxypyrazolo[4,3-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 134512215
4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 168980281
N-[4-(2,4-difluorophenoxy)-3-[5-methyl-2-(morpholin-4-ylmethyl)-4-oxo-1H-pyrrolo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
CID 134512602

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide (CID 155457846) is N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3cc(-c4cc(OC)on4)sc23)c1.
What is the InChIKey of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide?
The InChIKey is CSYAUGLTDNPDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O6S2/c1-6-40(34,35)31-18-7-8-23(37-26-15(2)9-17(29)10-16(26)3)19(11-18)21-14-32(4)28(33)20-12-24(39-27(20)21)22-13-25(36-5)38-30-22/h7-14,31H,6H2,1-5H3.
What are the key properties of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide?
N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide has a molecular weight of 583.66 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-(5-methoxy-1,2-oxazol-3-yl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 155457846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).