2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide

C18H22N2O5S — CID 119797567

IUPAC2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-11-10-19-13-18(21)20-14-6-8-15(9-7-14)25-16-4-3-5-17(12-16)26(2,22)23/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeySSHVWMOKDPNDST-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.06
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide

2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide (PubChem CID 119797567) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide
PubChem CID119797567
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-11-10-19-13-18(21)20-14-6-8-15(9-7-14)25-16-4-3-5-17(12-16)26(2,22)23/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeySSHVWMOKDPNDST-UHFFFAOYSA-N
XLogP2.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,5-dimethylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119741341
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119813191
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962
3-amino-2-methyl-N-[4-(3-methylsulfonylphenoxy)phenyl]butanamide;hydrochloride
CID 120501352

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide (CID 119797567) is 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide is COCCNCC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide?
The InChIKey is SSHVWMOKDPNDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-11-10-19-13-18(21)20-14-6-8-15(9-7-14)25-16-4-3-5-17(12-16)26(2,22)23/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-(3-methylsulfonylphenoxy)phenyl]acetamide is sourced from PubChem (CID 119797567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).