N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide

C21H35N3O4S — CID 20630093

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1N1CC(C)OC(C)C1
InChIInChI=1S/C21H35N3O4S/c1-15(2)29(26,27)22-11-7-6-8-21(25)23-19-9-10-20(16(3)12-19)24-13-17(4)28-18(5)14-24/h9-10,12,15,17-18,22H,6-8,11,13-14H2,1-5H3,(H,23,25)
InChIKeyUMNFCYVKJPJSEW-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.05
Rot. Bonds9

About N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide

N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 20630093) has the molecular formula C21H35N3O4S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID20630093
Molecular FormulaC21H35N3O4S
Molecular Weight425.60 g/mol
Exact Mass425.23
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1N1CC(C)OC(C)C1
InChIInChI=1S/C21H35N3O4S/c1-15(2)29(26,27)22-11-7-6-8-21(25)23-19-9-10-20(16(3)12-19)24-13-17(4)28-18(5)14-24/h9-10,12,15,17-18,22H,6-8,11,13-14H2,1-5H3,(H,23,25)
InChIKeyUMNFCYVKJPJSEW-UHFFFAOYSA-N
XLogP3.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629231
N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629316
N-[5-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylanilino]pentyl]propane-2-sulfonamide
CID 70938938
N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629138
N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide
CID 59230914
N-[4-(2,3-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629977
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(2,4-dichlorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3,4-dichlorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3,4-dimethoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3,5,6-tetrafluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-fluoro-4-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 162177584
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
N-[4-(1,3-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629196
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 55868960

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide (CID 20630093) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide is Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1N1CC(C)OC(C)C1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is UMNFCYVKJPJSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4S/c1-15(2)29(26,27)22-11-7-6-8-21(25)23-19-9-10-20(16(3)12-19)24-13-17(4)28-18(5)14-24/h9-10,12,15,17-18,22H,6-8,11,13-14H2,1-5H3,(H,23,25).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 425.60 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 20630093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).