N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide

C20H24N2O4S — CID 25281428

IUPACN-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-6-20(23)21-17-9-11-18(12-10-17)27(24,25)22-13-14-26-19(15-22)16-7-4-3-5-8-16/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyXYFFNJKGLRMYLS-LJQANCHMSA-N
MW388.49 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide

N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide (PubChem CID 25281428) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide
PubChem CID25281428
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-6-20(23)21-17-9-11-18(12-10-17)27(24,25)22-13-14-26-19(15-22)16-7-4-3-5-8-16/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyXYFFNJKGLRMYLS-LJQANCHMSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352403
N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide
CID 51866598
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylphenyl]propanamide
CID 120766841
(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
CID 25281418
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide?
The IUPAC name of N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide (CID 25281428) is N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide.
What is the SMILES notation for N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide?
The canonical SMILES for N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide?
The InChIKey is XYFFNJKGLRMYLS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-6-20(23)21-17-9-11-18(12-10-17)27(24,25)22-13-14-26-19(15-22)16-7-4-3-5-8-16/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide?
N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide has a molecular weight of 388.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide is sourced from PubChem (CID 25281428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).