4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide

C25H34N2O5S — CID 100602099

IUPAC4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCCOc1ccc(N(CCCC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H34N2O5S/c1-3-32-23-13-11-22(12-14-23)27(33(2,29)30)17-7-10-24(28)26-20-25(15-18-31-19-16-25)21-8-5-4-6-9-21/h4-6,8-9,11-14H,3,7,10,15-20H2,1-2H3,(H,26,28)
InChIKeyVDDMSZUNBGHLNC-UHFFFAOYSA-N
MW474.62 g/mol
LogP3.50
Rot. Bonds11

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

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide (PubChem CID 100602099) has the molecular formula C25H34N2O5S and a molecular weight of 474.62 g/mol. Its IUPAC name is 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
PubChem CID100602099
Molecular FormulaC25H34N2O5S
Molecular Weight474.62 g/mol
Exact Mass474.22
IUPAC Name4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCCOc1ccc(N(CCCC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H34N2O5S/c1-3-32-23-13-11-22(12-14-23)27(33(2,29)30)17-7-10-24(28)26-20-25(15-18-31-19-16-25)21-8-5-4-6-9-21/h4-6,8-9,11-14H,3,7,10,15-20H2,1-2H3,(H,26,28)
InChIKeyVDDMSZUNBGHLNC-UHFFFAOYSA-N
XLogP3.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347
2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 100507549
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113144868
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-prop-2-enylsulfanylacetamide
CID 51092225
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53286601
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286992

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide (CID 100602099) is 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide.
What is the SMILES notation for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The canonical SMILES for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide is CCOc1ccc(N(CCCC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The InChIKey is VDDMSZUNBGHLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5S/c1-3-32-23-13-11-22(12-14-23)27(33(2,29)30)17-7-10-24(28)26-20-25(15-18-31-19-16-25)21-8-5-4-6-9-21/h4-6,8-9,11-14H,3,7,10,15-20H2,1-2H3,(H,26,28).
What are the key properties of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide has a molecular weight of 474.62 g/mol, XLogP of 3.50, 11 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-phenyloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 100602099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).