N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide

C19H23FN2O4S — CID 53288278

IUPACN-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1cccc(NC(=O)C(CC)N(c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C19H23FN2O4S/c1-4-17(19(23)21-14-9-8-10-15(13-14)26-5-2)22(27(3,24)25)18-12-7-6-11-16(18)20/h6-13,17H,4-5H2,1-3H3,(H,21,23)
InChIKeyYNYMNKDGNXVKLB-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.41
Rot. Bonds8

About N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide

N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 53288278) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID53288278
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCOc1cccc(NC(=O)C(CC)N(c2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C19H23FN2O4S/c1-4-17(19(23)21-14-9-8-10-15(13-14)26-5-2)22(27(3,24)25)18-12-7-6-11-16(18)20/h6-13,17H,4-5H2,1-3H3,(H,21,23)
InChIKeyYNYMNKDGNXVKLB-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 53284207
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132759
3-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 53288176
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide
CID 99132754
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-pyridin-3-ylbutanamide
CID 95195829
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53282903
2-(2-fluoro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 133166619
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288310
(2R)-N-(2-ethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132698
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
ethyl 4-[2-(2-fluoro-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate
CID 132670733
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523601

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide (CID 53288278) is N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide is CCOc1cccc(NC(=O)C(CC)N(c2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is YNYMNKDGNXVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-4-17(19(23)21-14-9-8-10-15(13-14)26-5-2)22(27(3,24)25)18-12-7-6-11-16(18)20/h6-13,17H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide?
N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 394.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-(2-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53288278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).