3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide

C22H23N3O5S — CID 18558792

IUPAC3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2)CC1
InChIInChI=1S/C22H23N3O5S/c1-14-10-12-25(13-11-14)31(28,29)16-8-6-15(7-9-16)22(27)24-19-17-4-2-3-5-18(17)30-20(19)21(23)26/h2-9,14H,10-13H2,1H3,(H2,23,26)(H,24,27)
InChIKeyXJABEUFRDRJQDG-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.20
Rot. Bonds5

About 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide

3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 18558792) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
PubChem CID18558792
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2)CC1
InChIInChI=1S/C22H23N3O5S/c1-14-10-12-25(13-11-14)31(28,29)16-8-6-15(7-9-16)22(27)24-19-17-4-2-3-5-18(17)30-20(19)21(23)26/h2-9,14H,10-13H2,1H3,(H2,23,26)(H,24,27)
InChIKeyXJABEUFRDRJQDG-UHFFFAOYSA-N
XLogP3.20
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
CID 2141387
ethyl 3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-1-benzofuran-2-carboxylate
CID 42427921
N-(4-methylphenyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16814893
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
N-(2-carbamoyl-1-benzofuran-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923770
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
N-[2-(methoxymethyl)phenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55780199
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide (CID 18558792) is 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2)CC1.
What is the InChIKey of 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is XJABEUFRDRJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-14-10-12-25(13-11-14)31(28,29)16-8-6-15(7-9-16)22(27)24-19-17-4-2-3-5-18(17)30-20(19)21(23)26/h2-9,14H,10-13H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide?
3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18558792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).