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

C32H27FN4O5S — CID 71510403

IUPAC2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-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)c(OC)cn3)cc12
InChIInChI=1S/C32H27FN4O5S/c1-34-32(38)30-23-14-21(25-15-22(29(41-3)17-35-25)26-13-19-7-5-6-8-24(19)36-26)27(37(2)43(4,39)40)16-28(23)42-31(30)18-9-11-20(33)12-10-18/h5-17,36H,1-4H3,(H,34,38)
InChIKeyINJWFAVDBHOGOW-UHFFFAOYSA-N
MW598.66 g/mol
LogP6.21
Rot. Bonds7

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

2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71510403) has the molecular formula C32H27FN4O5S and a molecular weight of 598.66 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID71510403
Molecular FormulaC32H27FN4O5S
Molecular Weight598.66 g/mol
Exact Mass598.17
IUPAC Name2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-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)c(OC)cn3)cc12
InChIInChI=1S/C32H27FN4O5S/c1-34-32(38)30-23-14-21(25-15-22(29(41-3)17-35-25)26-13-19-7-5-6-8-24(19)36-26)27(37(2)43(4,39)40)16-28(23)42-31(30)18-9-11-20(33)12-10-18/h5-17,36H,1-4H3,(H,34,38)
InChIKeyINJWFAVDBHOGOW-UHFFFAOYSA-N
XLogP6.21
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.66
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-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)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71510403) is 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-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)-5-methoxy-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)-5-methoxy-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)c(OC)cn3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is INJWFAVDBHOGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN4O5S/c1-34-32(38)30-23-14-21(25-15-22(29(41-3)17-35-25)26-13-19-7-5-6-8-24(19)36-26)27(37(2)43(4,39)40)16-28(23)42-31(30)18-9-11-20(33)12-10-18/h5-17,36H,1-4H3,(H,34,38).
What are the key properties of 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 598.66 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71510403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).