N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide

C32H28N4O4S — CID 126602725

IUPACN-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ccn(-c5ccncc5)c4c3)cc12
InChIInChI=1S/C32H28N4O4S/c1-20-5-7-22(8-6-20)31-30(32(37)33-2)26-18-25(28(19-29(26)40-31)35(3)41(4,38)39)23-10-9-21-13-16-36(27(21)17-23)24-11-14-34-15-12-24/h5-19H,1-4H3,(H,33,37)
InChIKeyRUXVSPFVGJTZOA-UHFFFAOYSA-N
MW564.67 g/mol
LogP6.17
Rot. Bonds6

About N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide

N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide (PubChem CID 126602725) has the molecular formula C32H28N4O4S and a molecular weight of 564.67 g/mol. Its IUPAC name is N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide
PubChem CID126602725
Molecular FormulaC32H28N4O4S
Molecular Weight564.67 g/mol
Exact Mass564.18
IUPAC NameN-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ccn(-c5ccncc5)c4c3)cc12
InChIInChI=1S/C32H28N4O4S/c1-20-5-7-22(8-6-20)31-30(32(37)33-2)26-18-25(28(19-29(26)40-31)35(3)41(4,38)39)23-10-9-21-13-16-36(27(21)17-23)24-11-14-34-15-12-24/h5-19H,1-4H3,(H,33,37)
InChIKeyRUXVSPFVGJTZOA-UHFFFAOYSA-N
XLogP6.17
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.67
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(3-pyridin-3-ylbenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 126602701
N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide
CID 126486489
N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 126486436
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-(1-oxoisoquinolin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71141984
2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 71295706
N-methoxy-6-[methyl(methylsulfonyl)amino]-2,5-bis(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 159507195
5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 126602710
2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide
CID 144548267
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-benzofuran-3-carboxamide
CID 118346176
5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 126486401
N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(2-phenyl-3H-indol-6-yl)-1-benzofuran-3-carboxamide
CID 161306924
2-(4-fluorophenyl)-N-methyl-5-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 53465078

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide (CID 126602725) is N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ccn(-c5ccncc5)c4c3)cc12.
What is the InChIKey of N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide?
The InChIKey is RUXVSPFVGJTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O4S/c1-20-5-7-22(8-6-20)31-30(32(37)33-2)26-18-25(28(19-29(26)40-31)35(3)41(4,38)39)23-10-9-21-13-16-36(27(21)17-23)24-11-14-34-15-12-24/h5-19H,1-4H3,(H,33,37).
What are the key properties of N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide?
N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide has a molecular weight of 564.67 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126602725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).