2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide

C23H20N2O4S — CID 25037862

IUPAC2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)Nc3ccccc3)c2c1
InChIInChI=1S/C23H20N2O4S/c1-15-8-6-7-11-21(15)30(27,28)25-18-12-13-20-19(14-18)22(16(2)29-20)23(26)24-17-9-4-3-5-10-17/h3-14,25H,1-2H3,(H,24,26)
InChIKeyBFHBDWVLSRBXCN-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.10
Rot. Bonds5

About 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide

2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide (PubChem CID 25037862) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
PubChem CID25037862
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)Nc3ccccc3)c2c1
InChIInChI=1S/C23H20N2O4S/c1-15-8-6-7-11-21(15)30(27,28)25-18-12-13-20-19(14-18)22(16(2)29-20)23(26)24-17-9-4-3-5-10-17/h3-14,25H,1-2H3,(H,24,26)
InChIKeyBFHBDWVLSRBXCN-UHFFFAOYSA-N
XLogP5.10
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25046845
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
CID 159173553
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
N-[3-(benzenesulfonamido)phenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 60514662
methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 1304159
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 1304958
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7312242
propyl 5-(benzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
CID 25043109
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
ethyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 4089737
methyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 7113484

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide (CID 25037862) is 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide is Cc1ccccc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)Nc3ccccc3)c2c1.
What is the InChIKey of 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is BFHBDWVLSRBXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-15-8-6-7-11-21(15)30(27,28)25-18-12-13-20-19(14-18)22(16(2)29-20)23(26)24-17-9-4-3-5-10-17/h3-14,25H,1-2H3,(H,24,26).
What are the key properties of 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide?
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 25037862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).