N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide

C19H22N2O5S — CID 113151216

IUPACN-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(C(C)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-14(22)15-8-10-17(11-9-15)20-19(23)13-21(27(3,24)25)12-16-6-4-5-7-18(16)26-2/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyHNXPPECOTWXWQQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.30
Rot. Bonds8

About N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide

N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113151216) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113151216
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(C(C)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-14(22)15-8-10-17(11-9-15)20-19(23)13-21(27(3,24)25)12-16-6-4-5-7-18(16)26-2/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyHNXPPECOTWXWQQ-UHFFFAOYSA-N
XLogP2.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151198
N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113151199
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151206
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 100557424
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
N-(4-acetylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101527
1-(4-acetylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649551

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide (CID 113151216) is N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide is COc1ccccc1CN(CC(=O)Nc1ccc(C(C)=O)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is HNXPPECOTWXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14(22)15-8-10-17(11-9-15)20-19(23)13-21(27(3,24)25)12-16-6-4-5-7-18(16)26-2/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113151216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).