4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide

C20H26N2O5S — CID 53286830

IUPAC4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
SMILESCCOc1ccccc1N(CCCC(=O)Nc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S/c1-4-27-19-13-8-6-11-17(19)22(28(3,24)25)15-9-14-20(23)21-16-10-5-7-12-18(16)26-2/h5-8,10-13H,4,9,14-15H2,1-3H3,(H,21,23)
InChIKeyXUEPCGIRKLOWOE-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.28
Rot. Bonds10

About 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide

4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide (PubChem CID 53286830) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
PubChem CID53286830
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
SMILESCCOc1ccccc1N(CCCC(=O)Nc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S/c1-4-27-19-13-8-6-11-17(19)22(28(3,24)25)15-9-14-20(23)21-16-10-5-7-12-18(16)26-2/h5-8,10-13H,4,9,14-15H2,1-3H3,(H,21,23)
InChIKeyXUEPCGIRKLOWOE-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
N-(2-methoxyethyl)-2-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100641559
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
CID 53287913
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825
4-(2-ethoxy-N-methylsulfonylanilino)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100741089
4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53286560
4-(2-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132450
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53286884

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide (CID 53286830) is 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide is CCOc1ccccc1N(CCCC(=O)Nc1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
The InChIKey is XUEPCGIRKLOWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-27-19-13-8-6-11-17(19)22(28(3,24)25)15-9-14-20(23)21-16-10-5-7-12-18(16)26-2/h5-8,10-13H,4,9,14-15H2,1-3H3,(H,21,23).
What are the key properties of 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide?
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide has a molecular weight of 406.50 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 53286830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).