N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide

C18H22N2O5S — CID 113151319

IUPACN-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)12-20(26(3,22)23)13-18(21)19-15-5-4-6-17(11-15)25-2/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyUUKGRYDMLMJUQM-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.10
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide

N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113151319) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113151319
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)12-20(26(3,22)23)13-18(21)19-15-5-4-6-17(11-15)25-2/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyUUKGRYDMLMJUQM-UHFFFAOYSA-N
XLogP2.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151312
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 29357217
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide (CID 113151319) is N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide is COc1ccc(CN(CC(=O)Nc2cccc(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is UUKGRYDMLMJUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)12-20(26(3,22)23)13-18(21)19-15-5-4-6-17(11-15)25-2/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide?
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113151319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).