2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

C21H26N2O5S — CID 43876383

IUPAC2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-19(28-20-7-5-4-6-16(20)2)21(24)22-17-8-10-18(11-9-17)29(25,26)23-12-14-27-15-13-23/h4-11,19H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyCBALJNPDGNCANC-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.81
Rot. Bonds7

About 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 43876383) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID43876383
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-19(28-20-7-5-4-6-16(20)2)21(24)22-17-8-10-18(11-9-17)29(25,26)23-12-14-27-15-13-23/h4-11,19H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyCBALJNPDGNCANC-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 4928494
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-chlorophenoxy)butanamide
CID 43885116
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
(2R)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 92675130
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
(2S)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 40582413
2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 42505330
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 4928488
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide
CID 133203327
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (CID 43876383) is 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is CBALJNPDGNCANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-19(28-20-7-5-4-6-16(20)2)21(24)22-17-8-10-18(11-9-17)29(25,26)23-12-14-27-15-13-23/h4-11,19H,3,12-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 418.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 43876383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).