N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide

C13H15NO4S — CID 95134527

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
SMILESC[C@H](NC(=O)CS(C)(=O)=O)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO4S/c1-9(14-13(15)8-19(2,16)17)12-7-10-5-3-4-6-11(10)18-12/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyPGKSGYTWXGFEKD-VIFPVBQESA-N
MW281.33 g/mol
LogP1.65
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide (PubChem CID 95134527) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
PubChem CID95134527
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
SMILESC[C@H](NC(=O)CS(C)(=O)=O)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO4S/c1-9(14-13(15)8-19(2,16)17)12-7-10-5-3-4-6-11(10)18-12/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyPGKSGYTWXGFEKD-VIFPVBQESA-N
XLogP1.65
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9367440
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8768753
2-(azocan-1-ium-1-yl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8680030

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide (CID 95134527) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide is C[C@H](NC(=O)CS(C)(=O)=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide?
The InChIKey is PGKSGYTWXGFEKD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15NO4S/c1-9(14-13(15)8-19(2,16)17)12-7-10-5-3-4-6-11(10)18-12/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide has a molecular weight of 281.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 95134527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).