N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide

C18H21NO5S — CID 27823905

IUPACN-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO5S/c1-23-16-5-3-4-6-17(16)24-12-11-19-18(20)15-9-7-14(8-10-15)13-25(2,21)22/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeySWKDEXVHZVHLGN-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.05
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide

N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 27823905) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID27823905
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO5S/c1-23-16-5-3-4-6-17(16)24-12-11-19-18(20)15-9-7-14(8-10-15)13-25(2,21)22/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeySWKDEXVHZVHLGN-UHFFFAOYSA-N
XLogP2.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.05
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-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
CID 27823943
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 60742768
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
2-(methanesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 38573387
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26268401
4-(methylsulfonylmethyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 26352356
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-(3-acetamidopropyl)-4-(methylsulfonylmethyl)benzamide
CID 38449785

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide (CID 27823905) is N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide is COc1ccccc1OCCNC(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is SWKDEXVHZVHLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-23-16-5-3-4-6-17(16)24-12-11-19-18(20)15-9-7-14(8-10-15)13-25(2,21)22/h3-10H,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide?
N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 363.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 27823905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).