7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide

C24H21BrN2O4S — CID 25037370

IUPAC7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(Br)c3oc(C)c(C(=O)Nc4ccccc4)c3c2)cc1
InChIInChI=1S/C24H21BrN2O4S/c1-3-16-9-11-19(12-10-16)32(29,30)27-18-13-20-22(15(2)31-23(20)21(25)14-18)24(28)26-17-7-5-4-6-8-17/h4-14,27H,3H2,1-2H3,(H,26,28)
InChIKeyVERSFTVNBXNNCP-UHFFFAOYSA-N
MW513.41 g/mol
LogP6.12
Rot. Bonds6

About 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide

7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide (PubChem CID 25037370) has the molecular formula C24H21BrN2O4S and a molecular weight of 513.41 g/mol. Its IUPAC name is 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide
PubChem CID25037370
Molecular FormulaC24H21BrN2O4S
Molecular Weight513.41 g/mol
Exact Mass512.04
IUPAC Name7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(Br)c3oc(C)c(C(=O)Nc4ccccc4)c3c2)cc1
InChIInChI=1S/C24H21BrN2O4S/c1-3-16-9-11-19(12-10-16)32(29,30)27-18-13-20-22(15(2)31-23(20)21(25)14-18)24(28)26-17-7-5-4-6-8-17/h4-14,27H,3H2,1-2H3,(H,26,28)
InChIKeyVERSFTVNBXNNCP-UHFFFAOYSA-N
XLogP6.12
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.41
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(benzenesulfonamido)-7-bromo-2-methyl-1-benzofuran-3-carboxylate
CID 1364614
7-chloro-2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25047325
5-(benzenesulfonamido)-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
CID 25037352
7-chloro-2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25046845
N-(3-acetyl-2-methylbenzo[g][1]benzofuran-5-yl)-4-ethylbenzenesulfonamide
CID 1105992
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25037862
ethyl 7-chloro-2-methyl-5-(naphthalen-2-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 4049549
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[3-(benzenesulfonamido)phenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 60514662
N-(3-acetyl-7-chloro-2-methyl-1-benzofuran-5-yl)naphthalene-2-sulfonamide
CID 2333595

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide (CID 25037370) is 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide is CCc1ccc(S(=O)(=O)Nc2cc(Br)c3oc(C)c(C(=O)Nc4ccccc4)c3c2)cc1.
What is the InChIKey of 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is VERSFTVNBXNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O4S/c1-3-16-9-11-19(12-10-16)32(29,30)27-18-13-20-22(15(2)31-23(20)21(25)14-18)24(28)26-17-7-5-4-6-8-17/h4-14,27H,3H2,1-2H3,(H,26,28).
What are the key properties of 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide?
7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 513.41 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-[(4-ethylphenyl)sulfonylamino]-2-methyl-N-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 25037370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).