N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide

C26H27N3O6S — CID 4643270

IUPACN'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H27N3O6S/c30-25(27-20-6-10-23(11-7-20)35-22-4-2-1-3-5-22)14-15-26(31)28-21-8-12-24(13-9-21)36(32,33)29-16-18-34-19-17-29/h1-13H,14-19H2,(H,27,30)(H,28,31)
InChIKeyFOVPPJRJWYCXOS-UHFFFAOYSA-N
MW509.58 g/mol
LogP3.86
Rot. Bonds9

About N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide

N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide (PubChem CID 4643270) has the molecular formula C26H27N3O6S and a molecular weight of 509.58 g/mol. Its IUPAC name is N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
PubChem CID4643270
Molecular FormulaC26H27N3O6S
Molecular Weight509.58 g/mol
Exact Mass509.16
IUPAC NameN'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H27N3O6S/c30-25(27-20-6-10-23(11-7-20)35-22-4-2-1-3-5-22)14-15-26(31)28-21-8-12-24(13-9-21)36(32,33)29-16-18-34-19-17-29/h1-13H,14-19H2,(H,27,30)(H,28,31)
InChIKeyFOVPPJRJWYCXOS-UHFFFAOYSA-N
XLogP3.86
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.58
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
[(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 26919544
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4856622
N-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-4-phenoxybenzamide
CID 22107894
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094

Frequently Asked Questions

What is the IUPAC name of N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide?
The IUPAC name of N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide (CID 4643270) is N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide.
What is the SMILES notation for N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide?
The canonical SMILES for N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide is O=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide?
The InChIKey is FOVPPJRJWYCXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6S/c30-25(27-20-6-10-23(11-7-20)35-22-4-2-1-3-5-22)14-15-26(31)28-21-8-12-24(13-9-21)36(32,33)29-16-18-34-19-17-29/h1-13H,14-19H2,(H,27,30)(H,28,31).
What are the key properties of N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide?
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide has a molecular weight of 509.58 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide is sourced from PubChem (CID 4643270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).