6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide

C26H26N2O4S — CID 162243728

IUPAC6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
SMILESCCN(c1cc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C26H26N2O4S/c1-5-28(33(4,30)31)22-16-23-21(15-20(22)18-9-7-6-8-10-18)24(26(29)27-3)25(32-23)19-13-11-17(2)12-14-19/h6-16H,5H2,1-4H3,(H,27,29)
InChIKeyPJYQHFXYUVPZQJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.22
Rot. Bonds6

About 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide

6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide (PubChem CID 162243728) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
PubChem CID162243728
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
SMILESCCN(c1cc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C26H26N2O4S/c1-5-28(33(4,30)31)22-16-23-21(15-20(22)18-9-7-6-8-10-18)24(26(29)27-3)25(32-23)19-13-11-17(2)12-14-19/h6-16H,5H2,1-4H3,(H,27,29)
InChIKeyPJYQHFXYUVPZQJ-UHFFFAOYSA-N
XLogP5.22
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-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

Related Compounds

N-methyl-2-(4-methylphenyl)-6-[(2-methylphenyl)methyl-methylsulfonylamino]-5-phenyl-1-benzofuran-3-carboxamide
CID 159896457
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(propyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378086
methyl 4-[[[3-(methylcarbamoyl)-2-(4-methylphenyl)-5-phenyl-1-benzofuran-6-yl]-methylsulfonylamino]methyl]benzoate
CID 159026185
6-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
CID 159896460
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(prop-2-enyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378508
5-[3-(tert-butylcarbamoyl)phenyl]-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-[4-(4-methylphenoxy)phenyl]-1-benzofuran-3-carboxamide
CID 129088104
6-[4-(benzimidazol-1-yl)butyl-methylsulfonylamino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
CID 159106386
2-(4-fluorophenyl)-N-methyl-6-[3-methylbutyl(methylsulfonyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378190
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
6-[cyclohex-2-en-1-yl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
CID 159839290
N-(4-methylpentyl)-N-[2-(4-methylphenyl)-5-phenyl-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide
CID 158209105
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

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide (CID 162243728) is 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide is CCN(c1cc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is PJYQHFXYUVPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-5-28(33(4,30)31)22-16-23-21(15-20(22)18-9-7-6-8-10-18)24(26(29)27-3)25(32-23)19-13-11-17(2)12-14-19/h6-16H,5H2,1-4H3,(H,27,29).
What are the key properties of 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide?
6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 162243728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).