4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide

C14H21FN2O4S — CID 21367556

IUPAC4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O4S/c1-21-11-9-16-14(18)4-3-10-17(22(2,19)20)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyMGYNERXHIDJNJE-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.13
Rot. Bonds9

About 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide

4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide (PubChem CID 21367556) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
PubChem CID21367556
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O4S/c1-21-11-9-16-14(18)4-3-10-17(22(2,19)20)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyMGYNERXHIDJNJE-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 53288183
N-(2-methoxyethyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141879
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143055
N-(3-methoxypropyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286873
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21367262

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide?
The IUPAC name of 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide (CID 21367556) is 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide is COCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide?
The InChIKey is MGYNERXHIDJNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-21-11-9-16-14(18)4-3-10-17(22(2,19)20)13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide?
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide has a molecular weight of 332.40 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 21367556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).