3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

C16H24FN3O4S — CID 113145905

IUPAC3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FN3O4S/c1-25(22,23)20(15-4-2-3-14(17)13-15)7-5-16(21)18-6-8-19-9-11-24-12-10-19/h2-4,13H,5-12H2,1H3,(H,18,21)
InChIKeyFDWCRZOGFUSNJB-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.43
Rot. Bonds8

About 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 113145905) has the molecular formula C16H24FN3O4S and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID113145905
Molecular FormulaC16H24FN3O4S
Molecular Weight373.45 g/mol
Exact Mass373.15
IUPAC Name3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FN3O4S/c1-25(22,23)20(15-4-2-3-14(17)13-15)7-5-16(21)18-6-8-19-9-11-24-12-10-19/h2-4,13H,5-12H2,1H3,(H,18,21)
InChIKeyFDWCRZOGFUSNJB-UHFFFAOYSA-N
XLogP0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113144868
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50946442
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113157278
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145908
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113135341
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7421601
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145953

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 113145905) is 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCCN1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is FDWCRZOGFUSNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4S/c1-25(22,23)20(15-4-2-3-14(17)13-15)7-5-16(21)18-6-8-19-9-11-24-12-10-19/h2-4,13H,5-12H2,1H3,(H,18,21).
What are the key properties of 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 373.45 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 113145905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).