N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide

C12H19N3O3S — CID 61456491

IUPACN-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCCCN)c1
InChIInChI=1S/C12H19N3O3S/c1-10(16)14-11-5-4-6-12(9-11)15-19(17,18)8-3-2-7-13/h4-6,9,15H,2-3,7-8,13H2,1H3,(H,14,16)
InChIKeyRUUFHIRCRHRPCF-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.13
Rot. Bonds7

About N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide

N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide (PubChem CID 61456491) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
PubChem CID61456491
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)CCCCN)c1
InChIInChI=1S/C12H19N3O3S/c1-10(16)14-11-5-4-6-12(9-11)15-19(17,18)8-3-2-7-13/h4-6,9,15H,2-3,7-8,13H2,1H3,(H,14,16)
InChIKeyRUUFHIRCRHRPCF-UHFFFAOYSA-N
XLogP1.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.13
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

4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
CID 61456490
N-[3-(4-chlorobutylsulfonylamino)phenyl]propanamide
CID 116815957
N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
3-[(3-acetamidophenyl)sulfamoyl]-N-(3-fluorophenyl)propanamide
CID 110425766
N-[3-[2-(benzenesulfonamido)ethylsulfonylamino]phenyl]acetamide
CID 110601397
N-[3-[[3-(azepan-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110416843
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
CID 3585526
2-chloro-N-[3-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxopentanamide
CID 88747731
N-[3-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110407310

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide (CID 61456491) is N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)CCCCN)c1.
What is the InChIKey of N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide?
The InChIKey is RUUFHIRCRHRPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10(16)14-11-5-4-6-12(9-11)15-19(17,18)8-3-2-7-13/h4-6,9,15H,2-3,7-8,13H2,1H3,(H,14,16).
What are the key properties of N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide?
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 61456491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).