2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide

C20H24FN3O5S — CID 132671344

IUPAC2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H24FN3O5S/c1-14(24(30(3,27)28)18-11-7-5-9-16(18)21)19(25)23-17-10-6-4-8-15(17)20(26)22-12-13-29-2/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyLDXUWSMSQDABHO-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.00
Rot. Bonds9

About 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide

2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 132671344) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide
PubChem CID132671344
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H24FN3O5S/c1-14(24(30(3,27)28)18-11-7-5-9-16(18)21)19(25)23-17-10-6-4-8-15(17)20(26)22-12-13-29-2/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyLDXUWSMSQDABHO-UHFFFAOYSA-N
XLogP2.00
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99132038
N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133210259
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285843
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285822
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165321
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99131913
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 99131849
(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide (CID 132671344) is 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is LDXUWSMSQDABHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-14(24(30(3,27)28)18-11-7-5-9-16(18)21)19(25)23-17-10-6-4-8-15(17)20(26)22-12-13-29-2/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide?
2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 437.49 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 132671344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).