N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide

C16H25N3O5S — CID 119677486

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H25N3O5S/c1-17-7-3-4-16(20)18-13-5-6-14(23-2)15(12-13)25(21,22)19-8-10-24-11-9-19/h5-6,12,17H,3-4,7-11H2,1-2H3,(H,18,20)
InChIKeySOXCLJCZCCZBPM-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.65
Rot. Bonds8

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide (PubChem CID 119677486) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
PubChem CID119677486
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H25N3O5S/c1-17-7-3-4-16(20)18-13-5-6-14(23-2)15(12-13)25(21,22)19-8-10-24-11-9-19/h5-6,12,17H,3-4,7-11H2,1-2H3,(H,18,20)
InChIKeySOXCLJCZCCZBPM-UHFFFAOYSA-N
XLogP0.65
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(2-phenylethoxy)butanamide
CID 55831593
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43008044
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969625
2-(3,5-difluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24562331

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide (CID 119677486) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide?
The InChIKey is SOXCLJCZCCZBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-17-7-3-4-16(20)18-13-5-6-14(23-2)15(12-13)25(21,22)19-8-10-24-11-9-19/h5-6,12,17H,3-4,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide has a molecular weight of 371.46 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 119677486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).