N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide

C34H27F2N3O4S — CID 159790101

IUPACN-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
SMILESC=Cc1ncc(-c2cc3c(C(=O)CC)c(-c4ccc(F)cc4)oc3cc2N(C)S(C)(=O)=O)nc1C1=Cc2c(F)cccc2C1
InChIInChI=1S/C34H27F2N3O4S/c1-5-27-33(21-14-20-8-7-9-26(36)23(20)15-21)38-28(18-37-27)24-16-25-31(17-29(24)39(3)44(4,41)42)43-34(32(25)30(40)6-2)19-10-12-22(35)13-11-19/h5,7-13,15-18H,1,6,14H2,2-4H3
InChIKeyDQUGDMULAMOYPM-UHFFFAOYSA-N
MW611.67 g/mol
LogP7.56
Rot. Bonds8

About N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide

N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide (PubChem CID 159790101) has the molecular formula C34H27F2N3O4S and a molecular weight of 611.67 g/mol. Its IUPAC name is N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
PubChem CID159790101
Molecular FormulaC34H27F2N3O4S
Molecular Weight611.67 g/mol
Exact Mass611.17
IUPAC NameN-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
SMILESC=Cc1ncc(-c2cc3c(C(=O)CC)c(-c4ccc(F)cc4)oc3cc2N(C)S(C)(=O)=O)nc1C1=Cc2c(F)cccc2C1
InChIInChI=1S/C34H27F2N3O4S/c1-5-27-33(21-14-20-8-7-9-26(36)23(20)15-21)38-28(18-37-27)24-16-25-31(17-29(24)39(3)44(4,41)42)43-34(32(25)30(40)6-2)19-10-12-22(35)13-11-19/h5,7-13,15-18H,1,6,14H2,2-4H3
InChIKeyDQUGDMULAMOYPM-UHFFFAOYSA-N
XLogP7.56
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.67
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[5-(4-fluoro-1H-inden-2-yl)-6-oxo-1H-pyrazin-3-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 159933088
N-[5-[5-amino-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(2,4-difluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 159355009
N-[5-[3-(aminomethyl)phenyl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 157470829
acetic acid;5-[6-(4-fluoro-1H-inden-2-yl)-5-hydroxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(15-fluoro-9-oxo-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 159197548
N-[2-(4-fluorophenyl)-5-(3-nitrophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 160863065
N-[5-[3-[1-(4-fluorophenyl)ethyl]-4-oxo-2H-pyrido[2,3-e][1,3]oxazin-6-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 161177168
N-[5-(3-fluoro-4-methylphenyl)-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 160593191
5-[5-ethenyl-6-(4-fluoro-1H-indol-2-yl)pyrazin-2-yl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 118573581
[3-(4-fluoro-1H-indol-2-yl)-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]pyrazin-2-yl] trifluoromethanesulfonate
CID 90333728
5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate
CID 157469325
N-[2-(4-fluorophenyl)-3-propanoyl-5-[3-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]phenyl]-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 157371645
5-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(4-fluoro-1H-inden-2-yl)-1-methyl-6-oxo-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;2-(4-fluoro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158902801

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide (CID 159790101) is N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide is C=Cc1ncc(-c2cc3c(C(=O)CC)c(-c4ccc(F)cc4)oc3cc2N(C)S(C)(=O)=O)nc1C1=Cc2c(F)cccc2C1.
What is the InChIKey of N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide?
The InChIKey is DQUGDMULAMOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F2N3O4S/c1-5-27-33(21-14-20-8-7-9-26(36)23(20)15-21)38-28(18-37-27)24-16-25-31(17-29(24)39(3)44(4,41)42)43-34(32(25)30(40)6-2)19-10-12-22(35)13-11-19/h5,7-13,15-18H,1,6,14H2,2-4H3.
What are the key properties of N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide?
N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide has a molecular weight of 611.67 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-ethenyl-6-(4-fluoro-1H-inden-2-yl)pyrazin-2-yl]-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 159790101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).