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

C17H19ClN2O4S — CID 113151204

IUPACN-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-6-4-3-5-13(16)11-20(25(2,22)23)12-17(21)19-15-9-7-14(18)8-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeySEFREWHGSLZONQ-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.75
Rot. Bonds7

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

N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113151204) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113151204
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-6-4-3-5-13(16)11-20(25(2,22)23)12-17(21)19-15-9-7-14(18)8-10-15/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeySEFREWHGSLZONQ-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151198
N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151216
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151206
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-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 126396765
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 100557424
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 100514614

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide (CID 113151204) is N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide is COc1ccccc1CN(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is SEFREWHGSLZONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-16-6-4-3-5-13(16)11-20(25(2,22)23)12-17(21)19-15-9-7-14(18)8-10-15/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 382.87 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113151204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).