3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide

C14H23N3O3S — CID 106337406

IUPAC3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
SMILESCC(CC(=O)NCCS(=O)(=O)N(C)C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O3S/c1-11(12-4-6-13(15)7-5-12)10-14(18)16-8-9-21(19,20)17(2)3/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyOYVMVANSWNLJTJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.77
Rot. Bonds7

About 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide

3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide (PubChem CID 106337406) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
PubChem CID106337406
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
SMILESCC(CC(=O)NCCS(=O)(=O)N(C)C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O3S/c1-11(12-4-6-13(15)7-5-12)10-14(18)16-8-9-21(19,20)17(2)3/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyOYVMVANSWNLJTJ-UHFFFAOYSA-N
XLogP0.77
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333044
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide
CID 104502419
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 99929803
3-(4-aminophenyl)-N-hex-5-ynylbutanamide
CID 106213111
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide (CID 106337406) is 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide is CC(CC(=O)NCCS(=O)(=O)N(C)C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide?
The InChIKey is OYVMVANSWNLJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11(12-4-6-13(15)7-5-12)10-14(18)16-8-9-21(19,20)17(2)3/h4-7,11H,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide?
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide has a molecular weight of 313.42 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide is sourced from PubChem (CID 106337406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).