N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide

C21H25N3O6S — CID 6491912

IUPACN-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC(C)C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O6S/c1-15(21(26)24-10-12-29-13-11-24)30-19-6-8-20(9-7-19)31(27,28)23-18-5-3-4-17(14-18)22-16(2)25/h3-9,14-15,23H,10-13H2,1-2H3,(H,22,25)
InChIKeyKXESMHQFZLUYEV-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.07
Rot. Bonds7

About N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide

N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide (PubChem CID 6491912) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide
PubChem CID6491912
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC(C)C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O6S/c1-15(21(26)24-10-12-29-13-11-24)30-19-6-8-20(9-7-19)31(27,28)23-18-5-3-4-17(14-18)22-16(2)25/h3-9,14-15,23H,10-13H2,1-2H3,(H,22,25)
InChIKeyKXESMHQFZLUYEV-UHFFFAOYSA-N
XLogP2.07
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide with MolForge

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Related Compounds

N-cyclohexyl-4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxybenzenesulfonamide
CID 92513123
3,4-dimethyl-N-[3-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 39965056
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 25331106
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
CID 21101274
N-[4-[[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]sulfamoyl]phenyl]acetamide
CID 110285631
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide (CID 6491912) is N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(OC(C)C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is KXESMHQFZLUYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-15(21(26)24-10-12-29-13-11-24)30-19-6-8-20(9-7-19)31(27,28)23-18-5-3-4-17(14-18)22-16(2)25/h3-9,14-15,23H,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide?
N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 447.51 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 6491912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).