3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide

C17H25FN2O4S — CID 71856869

IUPAC3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCC(CN1CCOCC1)NC(=O)C(C)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4S/c1-13(12-25(22,23)16-5-3-15(18)4-6-16)17(21)19-14(2)11-20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyKSSHDPDDADSHKK-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.07
Rot. Bonds7

About 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide

3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide (PubChem CID 71856869) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide
PubChem CID71856869
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide
SMILESCC(CN1CCOCC1)NC(=O)C(C)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O4S/c1-13(12-25(22,23)16-5-3-15(18)4-6-16)17(21)19-14(2)11-20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyKSSHDPDDADSHKK-UHFFFAOYSA-N
XLogP1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide (CID 71856869) is 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide is CC(CN1CCOCC1)NC(=O)C(C)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
The InChIKey is KSSHDPDDADSHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-13(12-25(22,23)16-5-3-15(18)4-6-16)17(21)19-14(2)11-20-7-9-24-10-8-20/h3-6,13-14H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide?
3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide has a molecular weight of 372.46 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide is sourced from PubChem (CID 71856869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).