6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide

C32H30N2O5S — CID 159896460

IUPAC6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(Cc3cccc(OC)c3)S(C)(=O)=O)c(-c3ccccc3)cc12
InChIInChI=1S/C32H30N2O5S/c1-21-13-15-24(16-14-21)31-30(32(35)33-2)27-18-26(23-10-6-5-7-11-23)28(19-29(27)39-31)34(40(4,36)37)20-22-9-8-12-25(17-22)38-3/h5-19H,20H2,1-4H3,(H,33,35)
InChIKeyGLVZYGDRMHMZBO-UHFFFAOYSA-N
MW554.67 g/mol
LogP6.41
Rot. Bonds8

About 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide

6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide (PubChem CID 159896460) has the molecular formula C32H30N2O5S and a molecular weight of 554.67 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
PubChem CID159896460
Molecular FormulaC32H30N2O5S
Molecular Weight554.67 g/mol
Exact Mass554.19
IUPAC Name6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(Cc3cccc(OC)c3)S(C)(=O)=O)c(-c3ccccc3)cc12
InChIInChI=1S/C32H30N2O5S/c1-21-13-15-24(16-14-21)31-30(32(35)33-2)27-18-26(23-10-6-5-7-11-23)28(19-29(27)39-31)34(40(4,36)37)20-22-9-8-12-25(17-22)38-3/h5-19H,20H2,1-4H3,(H,33,35)
InChIKeyGLVZYGDRMHMZBO-UHFFFAOYSA-N
XLogP6.41
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
CID 162243728
6-[4-(benzimidazol-1-yl)butyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
CID 159106386
N-(4-methylpentyl)-N-[2-(4-methylphenyl)-5-phenyl-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide
CID 158209105
5-[3-[(1-cyclopropyl-2,2,2-trifluoroethyl)carbamoyl]phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
CID 134215677
N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(2-phenyl-3H-indol-6-yl)-1-benzofuran-3-carboxamide
CID 161306924
ethyl 3-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylsulfonylamino]-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoate
CID 59275354
[4-[[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]methyl]-2-methoxyphenyl]boronic acid
CID 53372828
2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-ylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275600
5-[3-(4-benzhydrylidenepiperidine-1-carbonyl)phenyl]-6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 122503970
5-[3-(7-fluoro-1,3-benzoxazol-2-yl)-4-methoxyphenyl]-6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 88903261
6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-[4-methyl-3-[2-(3-pyrimidin-2-yloxetan-3-yl)acetyl]phenyl]-1-benzofuran-3-carboxamide
CID 159391332
2-(4-fluorophenyl)-6-[3-fluoropropyl(methylsulfonyl)amino]-N-methyl-5-[3-[(1,1,1-trifluoro-2-methylpropan-2-yl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 134226203

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide (CID 159896460) is 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(Cc3cccc(OC)c3)S(C)(=O)=O)c(-c3ccccc3)cc12.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is GLVZYGDRMHMZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O5S/c1-21-13-15-24(16-14-21)31-30(32(35)33-2)27-18-26(23-10-6-5-7-11-23)28(19-29(27)39-31)34(40(4,36)37)20-22-9-8-12-25(17-22)38-3/h5-19H,20H2,1-4H3,(H,33,35).
What are the key properties of 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide?
6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 554.67 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 159896460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).