3-morpholin-4-ylsulfonyl-N-phenylpropanamide

C13H18N2O4S — CID 60667161

IUPAC3-morpholin-4-ylsulfonyl-N-phenylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C13H18N2O4S/c16-13(14-12-4-2-1-3-5-12)6-11-20(17,18)15-7-9-19-10-8-15/h1-5H,6-11H2,(H,14,16)
InChIKeyLYAUTRMRBSCQLJ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.68
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-phenylpropanamide

3-morpholin-4-ylsulfonyl-N-phenylpropanamide (PubChem CID 60667161) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-phenylpropanamide
PubChem CID60667161
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name3-morpholin-4-ylsulfonyl-N-phenylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C13H18N2O4S/c16-13(14-12-4-2-1-3-5-12)6-11-20(17,18)15-7-9-19-10-8-15/h1-5H,6-11H2,(H,14,16)
InChIKeyLYAUTRMRBSCQLJ-UHFFFAOYSA-N
XLogP0.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 115455306
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 62945639
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-phenylpropanamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-phenylpropanamide (CID 60667161) is 3-morpholin-4-ylsulfonyl-N-phenylpropanamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-phenylpropanamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-phenylpropanamide is O=C(CCS(=O)(=O)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-phenylpropanamide?
The InChIKey is LYAUTRMRBSCQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(14-12-4-2-1-3-5-12)6-11-20(17,18)15-7-9-19-10-8-15/h1-5H,6-11H2,(H,14,16).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-phenylpropanamide?
3-morpholin-4-ylsulfonyl-N-phenylpropanamide has a molecular weight of 298.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-phenylpropanamide is sourced from PubChem (CID 60667161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).