N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C20H22N2O4S — CID 9367440

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)N[C@@H](C)c1cc2ccccc2o1)S(C)(=O)=O
InChIInChI=1S/C20H22N2O4S/c1-14-8-4-6-10-17(14)22(27(3,24)25)13-20(23)21-15(2)19-12-16-9-5-7-11-18(16)26-19/h4-12,15H,13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyBWSQQZQBOCXNHT-HNNXBMFYSA-N
MW386.47 g/mol
LogP3.38
Rot. Bonds6

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 9367440) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID9367440
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)N[C@@H](C)c1cc2ccccc2o1)S(C)(=O)=O
InChIInChI=1S/C20H22N2O4S/c1-14-8-4-6-10-17(14)22(27(3,24)25)13-20(23)21-15(2)19-12-16-9-5-7-11-18(16)26-19/h4-12,15H,13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyBWSQQZQBOCXNHT-HNNXBMFYSA-N
XLogP3.38
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 18143536
2-[[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 8810194
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9477701
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8768753
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 17492980
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567894
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 26034500
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 9367440) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccccc1N(CC(=O)N[C@@H](C)c1cc2ccccc2o1)S(C)(=O)=O.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is BWSQQZQBOCXNHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-8-4-6-10-17(14)22(27(3,24)25)13-20(23)21-15(2)19-12-16-9-5-7-11-18(16)26-19/h4-12,15H,13H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.38, 6 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-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 9367440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).