N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide

C22H28N2O4S — CID 18159064

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-3-7-20(18-8-5-4-6-9-18)22(25)23-19-11-10-17(2)21(16-19)29(26,27)24-12-14-28-15-13-24/h4-6,8-11,16,20H,3,7,12-15H2,1-2H3,(H,23,25)
InChIKeyVIXZHNZRSQUVNW-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.54
Rot. Bonds7

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide (PubChem CID 18159064) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
PubChem CID18159064
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-3-7-20(18-8-5-4-6-9-18)22(25)23-19-11-10-17(2)21(16-19)29(26,27)24-12-14-28-15-13-24/h4-6,8-11,16,20H,3,7,12-15H2,1-2H3,(H,23,25)
InChIKeyVIXZHNZRSQUVNW-UHFFFAOYSA-N
XLogP3.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 5105845
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 1071416
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 24671719
1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26641666

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide (CID 18159064) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide is CCCC(C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide?
The InChIKey is VIXZHNZRSQUVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-3-7-20(18-8-5-4-6-9-18)22(25)23-19-11-10-17(2)21(16-19)29(26,27)24-12-14-28-15-13-24/h4-6,8-11,16,20H,3,7,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide has a molecular weight of 416.54 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide is sourced from PubChem (CID 18159064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).