N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide

C19H24N2O5S — CID 133185268

IUPACN-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(OCCNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O5S/c1-15(21(27(3,23)24)16-8-5-4-6-9-16)19(22)20-12-13-26-18-11-7-10-17(14-18)25-2/h4-11,14-15H,12-13H2,1-3H3,(H,20,22)
InChIKeyCVWJBPAHDXVQJE-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.04
Rot. Bonds9

About N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide

N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 133185268) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID133185268
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(OCCNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O5S/c1-15(21(27(3,23)24)16-8-5-4-6-9-16)19(22)20-12-13-26-18-11-7-10-17(14-18)25-2/h4-11,14-15H,12-13H2,1-3H3,(H,20,22)
InChIKeyCVWJBPAHDXVQJE-UHFFFAOYSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.04
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-methoxyphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 133185396
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125079417
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 133185401
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133166033
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252034
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542
N-[2-(2,3-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133165887
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 132674456
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185271

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide (CID 133185268) is N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide is COc1cccc(OCCNC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is CVWJBPAHDXVQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-15(21(27(3,23)24)16-8-5-4-6-9-16)19(22)20-12-13-26-18-11-7-10-17(14-18)25-2/h4-11,14-15H,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide?
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.04, 9 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-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133185268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).