4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide

C22H30N2O5S — CID 53286770

IUPAC4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)CCCN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O5S/c1-4-28-20-12-8-18(9-13-20)17-23-22(25)7-6-16-24(30(3,26)27)19-10-14-21(15-11-19)29-5-2/h8-15H,4-7,16-17H2,1-3H3,(H,23,25)
InChIKeyYSUCZNQNGVEAJZ-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.35
Rot. Bonds12

About 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide (PubChem CID 53286770) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
PubChem CID53286770
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)CCCN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O5S/c1-4-28-20-12-8-18(9-13-20)17-23-22(25)7-6-16-24(30(3,26)27)19-10-14-21(15-11-19)29-5-2/h8-15H,4-7,16-17H2,1-3H3,(H,23,25)
InChIKeyYSUCZNQNGVEAJZ-UHFFFAOYSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53286601
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 53286988
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53281033
N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286992
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide (CID 53286770) is 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide is CCOc1ccc(CNC(=O)CCCN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide?
The InChIKey is YSUCZNQNGVEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-4-28-20-12-8-18(9-13-20)17-23-22(25)7-6-16-24(30(3,26)27)19-10-14-21(15-11-19)29-5-2/h8-15H,4-7,16-17H2,1-3H3,(H,23,25).
What are the key properties of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide?
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide has a molecular weight of 434.56 g/mol, XLogP of 3.35, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 53286770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).