6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C35H30F2N4O6S — CID 121332818

IUPAC6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc2nc(C)n(Cc3ccc(F)cc3OC)c(=O)c2c1
InChIInChI=1S/C35H30F2N4O6S/c1-5-48(44,45)40-29-17-31-27(32(34(42)38-3)33(47-31)20-6-10-23(36)11-7-20)16-25(29)21-9-13-28-26(14-21)35(43)41(19(2)39-28)18-22-8-12-24(37)15-30(22)46-4/h6-17,40H,5,18H2,1-4H3,(H,38,42)
InChIKeyFIEPADIPCFDHHV-UHFFFAOYSA-N
MW672.71 g/mol
LogP6.24
Rot. Bonds9

About 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 121332818) has the molecular formula C35H30F2N4O6S and a molecular weight of 672.71 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID121332818
Molecular FormulaC35H30F2N4O6S
Molecular Weight672.71 g/mol
Exact Mass672.19
IUPAC Name6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc2nc(C)n(Cc3ccc(F)cc3OC)c(=O)c2c1
InChIInChI=1S/C35H30F2N4O6S/c1-5-48(44,45)40-29-17-31-27(32(34(42)38-3)33(47-31)20-6-10-23(36)11-7-20)16-25(29)21-9-13-28-26(14-21)35(43)41(19(2)39-28)18-22-8-12-24(37)15-30(22)46-4/h6-17,40H,5,18H2,1-4H3,(H,38,42)
InChIKeyFIEPADIPCFDHHV-UHFFFAOYSA-N
XLogP6.24
TPSA132.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.71
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-4-oxoquinazolin-6-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 121332816
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-2-methyl-4-oxoquinazolin-6-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 121332843
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[2-[(4-fluorophenyl)methyl]-1-oxoisoquinolin-7-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 121332842
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-(1H-indol-2-yl)-4-methoxyphenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 90302624
5-(4-cyanophenyl)-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71140107
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-4-oxo-2H-pyrido[3,2-e][1,3]oxazin-6-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 121332865
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(3-phenyl-1H-indol-5-yl)-1-benzofuran-3-carboxamide
CID 118341018
tert-butyl 5-[6-(ethylsulfonylamino)-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]indole-1-carboxylate
CID 118341047
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]-1-benzofuran-3-carboxamide
CID 71139388
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71139977
5-[3-[6-(aminomethyl)-1,3-benzothiazol-2-yl]phenyl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71139961
5-[3-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71139576

Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 121332818) is 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CCS(=O)(=O)Nc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc2nc(C)n(Cc3ccc(F)cc3OC)c(=O)c2c1.
What is the InChIKey of 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is FIEPADIPCFDHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F2N4O6S/c1-5-48(44,45)40-29-17-31-27(32(34(42)38-3)33(47-31)20-6-10-23(36)11-7-20)16-25(29)21-9-13-28-26(14-21)35(43)41(19(2)39-28)18-22-8-12-24(37)15-30(22)46-4/h6-17,40H,5,18H2,1-4H3,(H,38,42).
What are the key properties of 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 672.71 g/mol, XLogP of 6.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfonylamino)-5-[3-[(4-fluoro-2-methoxyphenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 121332818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).