2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C19H22FN3O6S2 — CID 1006632

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O6S2/c1-30(25,26)23(17-4-2-3-15(20)13-17)14-19(24)21-16-5-7-18(8-6-16)31(27,28)22-9-11-29-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyNYWAIHOXFSMECZ-UHFFFAOYSA-N
MW471.53 g/mol
LogP1.25
Rot. Bonds7

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

2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 1006632) has the molecular formula C19H22FN3O6S2 and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID1006632
Molecular FormulaC19H22FN3O6S2
Molecular Weight471.53 g/mol
Exact Mass471.09
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H22FN3O6S2/c1-30(25,26)23(17-4-2-3-15(20)13-17)14-19(24)21-16-5-7-18(8-6-16)31(27,28)22-9-11-29-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeyNYWAIHOXFSMECZ-UHFFFAOYSA-N
XLogP1.25
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 1006632) is 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is NYWAIHOXFSMECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O6S2/c1-30(25,26)23(17-4-2-3-15(20)13-17)14-19(24)21-16-5-7-18(8-6-16)31(27,28)22-9-11-29-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 471.53 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1006632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).