N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide

C15H25N3O3S — CID 113000142

IUPACN-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H25N3O3S/c1-4-11-22(20,21)16-12-15(19)17-13-7-9-14(10-8-13)18(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyWDDYTGVYWYTZMY-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.80
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide

N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide (PubChem CID 113000142) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide
PubChem CID113000142
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H25N3O3S/c1-4-11-22(20,21)16-12-15(19)17-13-7-9-14(10-8-13)18(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyWDDYTGVYWYTZMY-UHFFFAOYSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide
CID 112998471
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide (CID 113000142) is N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide is CCCS(=O)(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide?
The InChIKey is WDDYTGVYWYTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-4-11-22(20,21)16-12-15(19)17-13-7-9-14(10-8-13)18(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide?
N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide has a molecular weight of 327.45 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide is sourced from PubChem (CID 113000142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).