3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide

C23H19N3O5S — CID 3656399

IUPAC3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C23H19N3O5S/c1-14-10-12-15(13-11-14)32(29,30)26-18-8-4-2-6-16(18)23(28)25-20-17-7-3-5-9-19(17)31-21(20)22(24)27/h2-13,26H,1H3,(H2,24,27)(H,25,28)
InChIKeyCVJJSDHFDCPEAZ-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.89
Rot. Bonds6

About 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide

3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 3656399) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
PubChem CID3656399
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC Name3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C23H19N3O5S/c1-14-10-12-15(13-11-14)32(29,30)26-18-8-4-2-6-16(18)23(28)25-20-17-7-3-5-9-19(17)31-21(20)22(24)27/h2-13,26H,1H3,(H2,24,27)(H,25,28)
InChIKeyCVJJSDHFDCPEAZ-UHFFFAOYSA-N
XLogP3.89
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(benzenesulfonamido)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16813614
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
3-[[3-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 18575760
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7266821
N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25045980
N-(2-carbamoyl-1-benzofuran-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923770
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-benzofuran-2-carboxamide
CID 8842704
4-[(2-carbamoyl-1-benzofuran-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106763
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide (CID 3656399) is 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is CVJJSDHFDCPEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-14-10-12-15(13-11-14)32(29,30)26-18-8-4-2-6-16(18)23(28)25-20-17-7-3-5-9-19(17)31-21(20)22(24)27/h2-13,26H,1H3,(H2,24,27)(H,25,28).
What are the key properties of 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide?
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3656399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).