N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide

C20H25FN2O4S — CID 30398538

IUPACN-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1cccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25FN2O4S/c1-3-27-19-7-4-6-16(14-19)15-22-20(24)8-5-13-23(28(2,25)26)18-11-9-17(21)10-12-18/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24)
InChIKeyPDZOPMBTLCMFOU-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.09
Rot. Bonds10

About N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide

N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 30398538) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID30398538
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC NameN-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1cccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25FN2O4S/c1-3-27-19-7-4-6-16(14-19)15-22-20(24)8-5-13-23(28(2,25)26)18-11-9-17(21)10-12-18/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24)
InChIKeyPDZOPMBTLCMFOU-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)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-[(3-fluorophenyl)methyl]butanamide
CID 53286601
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365
4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53287826
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
2-(4-bromo-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 46770314
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide (CID 30398538) is N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide is CCOc1cccc(CNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is PDZOPMBTLCMFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-3-27-19-7-4-6-16(14-19)15-22-20(24)8-5-13-23(28(2,25)26)18-11-9-17(21)10-12-18/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 408.50 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 30398538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).