N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C23H19NO5S — CID 18775166

IUPACN-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1
InChIInChI=1S/C23H19NO5S/c1-30(26,27)18-13-11-16(12-14-18)24-23(25)22-20(15-28-17-7-3-2-4-8-17)19-9-5-6-10-21(19)29-22/h2-14H,15H2,1H3,(H,24,25)
InChIKeyDJQNNVVRHQFNMI-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.67
Rot. Bonds6

About N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 18775166) has the molecular formula C23H19NO5S and a molecular weight of 421.47 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID18775166
Molecular FormulaC23H19NO5S
Molecular Weight421.47 g/mol
Exact Mass421.10
IUPAC NameN-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1
InChIInChI=1S/C23H19NO5S/c1-30(26,27)18-13-11-16(12-14-18)24-23(25)22-20(15-28-17-7-3-2-4-8-17)19-9-5-6-10-21(19)29-22/h2-14H,15H2,1H3,(H,24,25)
InChIKeyDJQNNVVRHQFNMI-UHFFFAOYSA-N
XLogP4.67
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N-(3-acetamido-4-fluorophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 24656109
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 112766618
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 4685045
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55478663
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 42971745
3-(phenoxymethyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-benzofuran-2-carboxamide
CID 24516244
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7903996

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 18775166) is N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is DJQNNVVRHQFNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5S/c1-30(26,27)18-13-11-16(12-14-18)24-23(25)22-20(15-28-17-7-3-2-4-8-17)19-9-5-6-10-21(19)29-22/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18775166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).