2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

C15H23FN3O4S+ — CID 7421601

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O4S/c1-24(21,22)19(14-4-2-3-13(16)11-14)12-15(20)17-5-6-18-7-9-23-10-8-18/h2-4,11H,5-10,12H2,1H3,(H,17,20)/p+1
InChIKeyUBMBSYLESNFSAK-UHFFFAOYSA-O
MW360.43 g/mol
LogP-1.38
Rot. Bonds7

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

2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (PubChem CID 7421601) has the molecular formula C15H23FN3O4S+ and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
PubChem CID7421601
Molecular FormulaC15H23FN3O4S+
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O4S/c1-24(21,22)19(14-4-2-3-13(16)11-14)12-15(20)17-5-6-18-7-9-23-10-8-18/h2-4,11H,5-10,12H2,1H3,(H,17,20)/p+1
InChIKeyUBMBSYLESNFSAK-UHFFFAOYSA-O
XLogP-1.38
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7477668
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7339596
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 7477670
3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113145905
N-(3-cyclopentyloxypropyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 30243973
2-(3-fluoro-N-methylsulfonylanilino)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 50979612
2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]acetamide
CID 53279455
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 91781533

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (CID 7421601) is 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The InChIKey is UBMBSYLESNFSAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22FN3O4S/c1-24(21,22)19(14-4-2-3-13(16)11-14)12-15(20)17-5-6-18-7-9-23-10-8-18/h2-4,11H,5-10,12H2,1H3,(H,17,20)/p+1.
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide has a molecular weight of 360.43 g/mol, XLogP of -1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is sourced from PubChem (CID 7421601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).