N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C26H30N2O5S — CID 133185401

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCc1ccc(OCCNC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C26H30N2O5S/c1-19-10-13-25(18-20(19)2)32-17-16-27-26(29)21(3)28(34(4,30)31)22-11-14-24(15-12-22)33-23-8-6-5-7-9-23/h5-15,18,21H,16-17H2,1-4H3,(H,27,29)
InChIKeyVVZUFVMDVXJVFU-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.45
Rot. Bonds10

About N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 133185401) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID133185401
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCc1ccc(OCCNC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C26H30N2O5S/c1-19-10-13-25(18-20(19)2)32-17-16-27-26(29)21(3)28(34(4,30)31)22-11-14-24(15-12-22)33-23-8-6-5-7-9-23/h5-15,18,21H,16-17H2,1-4H3,(H,27,29)
InChIKeyVVZUFVMDVXJVFU-UHFFFAOYSA-N
XLogP4.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.45
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-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 133185468
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252039
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 133229385
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-(3,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 125070834
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185271
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 23740639
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125087784

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 133185401) is N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is Cc1ccc(OCCNC(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is VVZUFVMDVXJVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-19-10-13-25(18-20(19)2)32-17-16-27-26(29)21(3)28(34(4,30)31)22-11-14-24(15-12-22)33-23-8-6-5-7-9-23/h5-15,18,21H,16-17H2,1-4H3,(H,27,29).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 482.60 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 133185401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).