N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide

C21H23NO5S — CID 121021281

IUPACN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C21H23NO5S/c1-26-20(19-13-16-5-3-4-6-18(16)27-19)14-22-21(23)12-9-15-7-10-17(11-8-15)28(2,24)25/h3-8,10-11,13,20H,9,12,14H2,1-2H3,(H,22,23)
InChIKeyXKWRSCPQUBUHCE-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.27
Rot. Bonds8

About N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide

N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 121021281) has the molecular formula C21H23NO5S and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID121021281
Molecular FormulaC21H23NO5S
Molecular Weight401.48 g/mol
Exact Mass401.13
IUPAC NameN-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1
InChIInChI=1S/C21H23NO5S/c1-26-20(19-13-16-5-3-4-6-18(16)27-19)14-22-21(23)12-9-15-7-10-17(11-8-15)28(2,24)25/h3-8,10-11,13,20H,9,12,14H2,1-2H3,(H,22,23)
InChIKeyXKWRSCPQUBUHCE-UHFFFAOYSA-N
XLogP3.27
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 90623823
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 119104126
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]ethanesulfonamide
CID 124891766
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 124892212
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 124891805
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119104098
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
1-(1-adamantyl)-3-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]urea
CID 124727341

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide (CID 121021281) is N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide is COC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is XKWRSCPQUBUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5S/c1-26-20(19-13-16-5-3-4-6-18(16)27-19)14-22-21(23)12-9-15-7-10-17(11-8-15)28(2,24)25/h3-8,10-11,13,20H,9,12,14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 401.48 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 121021281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).