2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C31H25FN4O4S — CID 67436255

IUPAC2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)ccn3)cc12
InChIInChI=1S/C31H25FN4O4S/c1-33-31(37)29-23-16-22(26-15-20(12-13-34-26)25-14-19-6-4-5-7-24(19)35-25)27(36(2)41(3,38)39)17-28(23)40-30(29)18-8-10-21(32)11-9-18/h4-17,35H,1-3H3,(H,33,37)
InChIKeyXFUSNFVZEBDSKJ-UHFFFAOYSA-N
MW568.63 g/mol
LogP6.20
Rot. Bonds6

About 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 67436255) has the molecular formula C31H25FN4O4S and a molecular weight of 568.63 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID67436255
Molecular FormulaC31H25FN4O4S
Molecular Weight568.63 g/mol
Exact Mass568.16
IUPAC Name2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)ccn3)cc12
InChIInChI=1S/C31H25FN4O4S/c1-33-31(37)29-23-16-22(26-15-20(12-13-34-26)25-14-19-6-4-5-7-24(19)35-25)27(36(2)41(3,38)39)17-28(23)40-30(29)18-8-10-21(32)11-9-18/h4-17,35H,1-3H3,(H,33,37)
InChIKeyXFUSNFVZEBDSKJ-UHFFFAOYSA-N
XLogP6.20
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-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 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 67436255) is 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5ccccc5[nH]4)ccn3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is XFUSNFVZEBDSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4O4S/c1-33-31(37)29-23-16-22(26-15-20(12-13-34-26)25-14-19-6-4-5-7-24(19)35-25)27(36(2)41(3,38)39)17-28(23)40-30(29)18-8-10-21(32)11-9-18/h4-17,35H,1-3H3,(H,33,37).
What are the key properties of 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 568.63 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 67436255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).