2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide

C13H21N3O3S — CID 122132249

IUPAC2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H21N3O3S/c1-2-3-6-9-15-13(17)10-16-20(18,19)12-8-5-4-7-11(12)14/h4-5,7-8,16H,2-3,6,9-10,14H2,1H3,(H,15,17)
InChIKeyDTIMIWJXHKKOIL-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.85
Rot. Bonds8

About 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide

2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide (PubChem CID 122132249) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide
PubChem CID122132249
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide
SMILESCCCCCNC(=O)CNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H21N3O3S/c1-2-3-6-9-15-13(17)10-16-20(18,19)12-8-5-4-7-11(12)14/h4-5,7-8,16H,2-3,6,9-10,14H2,1H3,(H,15,17)
InChIKeyDTIMIWJXHKKOIL-UHFFFAOYSA-N
XLogP0.85
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Carbutamide
CID 9564
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 720658
2-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-N-hydroxyacetamide
CID 10709434
2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxyacetamide
CID 9903557
2-amino-N-(4-sulfamoylphenyl)acetamide
CID 10633163
2-Amino-N-(3-sulfamoyl-phenyl)-acetamide
CID 10704587
2-Methylamino-N-(4-sulfamoyl-phenyl)-acetamide
CID 10847812
(2R)-2-(1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide
CID 11822212
N-(4-(1-Piperidinylsulfonyl)phenyl)acetamide
CID 79780
N-[4-(aminosulfonyl)phenyl]-2-(1-piperidinyl)acetamide
CID 661254
Acetamide, N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-
CID 764494

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide?
The IUPAC name of 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide (CID 122132249) is 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide is CCCCCNC(=O)CNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide?
The InChIKey is DTIMIWJXHKKOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-3-6-9-15-13(17)10-16-20(18,19)12-8-5-4-7-11(12)14/h4-5,7-8,16H,2-3,6,9-10,14H2,1H3,(H,15,17).
What are the key properties of 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide?
2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide has a molecular weight of 299.40 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)sulfonylamino]-N-pentylacetamide is sourced from PubChem (CID 122132249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).