4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide

C20H25FN2O4S — CID 53286601

IUPAC4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
SMILESCCOc1ccc(N(CCCC(=O)NCc2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O4S/c1-3-27-19-11-9-18(10-12-19)23(28(2,25)26)13-5-8-20(24)22-15-16-6-4-7-17(21)14-16/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24)
InChIKeyYZBMEILJWKWNMQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.09
Rot. Bonds10

About 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide (PubChem CID 53286601) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
PubChem CID53286601
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
SMILESCCOc1ccc(N(CCCC(=O)NCc2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O4S/c1-3-27-19-11-9-18(10-12-19)23(28(2,25)26)13-5-8-20(24)22-15-16-6-4-7-17(21)14-16/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24)
InChIKeyYZBMEILJWKWNMQ-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

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538
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
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53286904
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide?
The IUPAC name of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide (CID 53286601) is 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide?
The canonical SMILES for 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide is CCOc1ccc(N(CCCC(=O)NCc2cccc(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide?
The InChIKey is YZBMEILJWKWNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-3-27-19-11-9-18(10-12-19)23(28(2,25)26)13-5-8-20(24)22-15-16-6-4-7-17(21)14-16/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide?
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]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 4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 53286601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).