4-[4-(ethylsulfamoyl)anilino]butanamide

C12H19N3O3S — CID 60864144

IUPAC4-[4-(ethylsulfamoyl)anilino]butanamide
SMILESCCNS(=O)(=O)c1ccc(NCCCC(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-15-19(17,18)11-7-5-10(6-8-11)14-9-3-4-12(13)16/h5-8,14-15H,2-4,9H2,1H3,(H2,13,16)
InChIKeyCFPUVRNRZXEDCR-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.66
Rot. Bonds8

About 4-[4-(ethylsulfamoyl)anilino]butanamide

4-[4-(ethylsulfamoyl)anilino]butanamide (PubChem CID 60864144) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[4-(ethylsulfamoyl)anilino]butanamide.

Molecular Properties

Compound Name4-[4-(ethylsulfamoyl)anilino]butanamide
PubChem CID60864144
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-[4-(ethylsulfamoyl)anilino]butanamide
SMILESCCNS(=O)(=O)c1ccc(NCCCC(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-15-19(17,18)11-7-5-10(6-8-11)14-9-3-4-12(13)16/h5-8,14-15H,2-4,9H2,1H3,(H2,13,16)
InChIKeyCFPUVRNRZXEDCR-UHFFFAOYSA-N
XLogP0.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106171016
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylsulfamoyl)anilino]butanamide?
The IUPAC name of 4-[4-(ethylsulfamoyl)anilino]butanamide (CID 60864144) is 4-[4-(ethylsulfamoyl)anilino]butanamide.
What is the SMILES notation for 4-[4-(ethylsulfamoyl)anilino]butanamide?
The canonical SMILES for 4-[4-(ethylsulfamoyl)anilino]butanamide is CCNS(=O)(=O)c1ccc(NCCCC(N)=O)cc1.
What is the InChIKey of 4-[4-(ethylsulfamoyl)anilino]butanamide?
The InChIKey is CFPUVRNRZXEDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-15-19(17,18)11-7-5-10(6-8-11)14-9-3-4-12(13)16/h5-8,14-15H,2-4,9H2,1H3,(H2,13,16).
What are the key properties of 4-[4-(ethylsulfamoyl)anilino]butanamide?
4-[4-(ethylsulfamoyl)anilino]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylsulfamoyl)anilino]butanamide is sourced from PubChem (CID 60864144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).