N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide

C20H26N2O5S — CID 100554880

IUPACN-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1cccc(OCCNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-16-7-9-17(10-8-16)14-22(28(3,24)25)15-20(23)21-11-12-27-19-6-4-5-18(13-19)26-2/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23)
InChIKeyRFWQZMQSOYDBNA-UHFFFAOYSA-N
MW406.50 g/mol
LogP1.96
Rot. Bonds10

About N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide

N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 100554880) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID100554880
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1cccc(OCCNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O5S/c1-16-7-9-17(10-8-16)14-22(28(3,24)25)15-20(23)21-11-12-27-19-6-4-5-18(13-19)26-2/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23)
InChIKeyRFWQZMQSOYDBNA-UHFFFAOYSA-N
XLogP1.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100560422
N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150637
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 100750759
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100512988
N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148476
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 133230723
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide (CID 100554880) is N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide is COc1cccc(OCCNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is RFWQZMQSOYDBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-16-7-9-17(10-8-16)14-22(28(3,24)25)15-20(23)21-11-12-27-19-6-4-5-18(13-19)26-2/h4-10,13H,11-12,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide?
N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 406.50 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 100554880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).