6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

C32H23F4N5O5S — CID 89435071

IUPAC6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CC(F)F)S(C)(=O)=O)c(-c3ncc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12
InChIInChI=1S/C32H23F4N5O5S/c1-37-32(42)28-20-10-19(31-38-13-26-29(39-31)24-11-18-21(34)4-3-5-22(18)40(24)15-45-26)23(41(14-27(35)36)47(2,43)44)12-25(20)46-30(28)16-6-8-17(33)9-7-16/h3-13,27H,14-15H2,1-2H3,(H,37,42)
InChIKeyGNCHIDPZPOHLBA-UHFFFAOYSA-N
MW665.63 g/mol
LogP6.20
Rot. Bonds7

About 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 89435071) has the molecular formula C32H23F4N5O5S and a molecular weight of 665.63 g/mol. Its IUPAC name is 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PubChem CID89435071
Molecular FormulaC32H23F4N5O5S
Molecular Weight665.63 g/mol
Exact Mass665.14
IUPAC Name6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CC(F)F)S(C)(=O)=O)c(-c3ncc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12
InChIInChI=1S/C32H23F4N5O5S/c1-37-32(42)28-20-10-19(31-38-13-26-29(39-31)24-11-18-21(34)4-3-5-22(18)40(24)15-45-26)23(41(14-27(35)36)47(2,43)44)12-25(20)46-30(28)16-6-8-17(33)9-7-16/h3-13,27H,14-15H2,1-2H3,(H,37,42)
InChIKeyGNCHIDPZPOHLBA-UHFFFAOYSA-N
XLogP6.20
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.63
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 89435071) is 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CC(F)F)S(C)(=O)=O)c(-c3ncc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12.
What is the InChIKey of 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is GNCHIDPZPOHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F4N5O5S/c1-37-32(42)28-20-10-19(31-38-13-26-29(39-31)24-11-18-21(34)4-3-5-22(18)40(24)15-45-26)23(41(14-27(35)36)47(2,43)44)12-25(20)46-30(28)16-6-8-17(33)9-7-16/h3-13,27H,14-15H2,1-2H3,(H,37,42).
What are the key properties of 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide?
6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 665.63 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-difluoroethyl(methylsulfonyl)amino]-5-(15-fluoro-8-oxa-3,5,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-4-yl)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 89435071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).