N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C21H22N2O6S — CID 26521364

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N2O6S/c1-14-6-7-15(12-19(14)30(26,27)23-8-10-28-11-9-23)22-20(24)13-18-16-4-2-3-5-17(16)21(25)29-18/h2-7,12,18H,8-11,13H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyQNRAGAGDXZYJEN-SFHVURJKSA-N
MW430.48 g/mol
LogP2.26
Rot. Bonds5

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 26521364) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID26521364
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N2O6S/c1-14-6-7-15(12-19(14)30(26,27)23-8-10-28-11-9-23)22-20(24)13-18-16-4-2-3-5-17(16)21(25)29-18/h2-7,12,18H,8-11,13H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyQNRAGAGDXZYJEN-SFHVURJKSA-N
XLogP2.26
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26522157
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26708087
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-yloxyacetamide
CID 26218315
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26521392

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 26521364) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is Cc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is QNRAGAGDXZYJEN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-14-6-7-15(12-19(14)30(26,27)23-8-10-28-11-9-23)22-20(24)13-18-16-4-2-3-5-17(16)21(25)29-18/h2-7,12,18H,8-11,13H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 26521364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).