N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide

C16H26N2O3S — CID 112990709

IUPACN-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-6-11-17-15(19)12-18-22(20,21)14-9-7-13(8-10-14)16(2,3)4/h7-10,18H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeySKYGRUXJRSJQBQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.18
Rot. Bonds7

About N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide

N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide (PubChem CID 112990709) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
PubChem CID112990709
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-6-11-17-15(19)12-18-22(20,21)14-9-7-13(8-10-14)16(2,3)4/h7-10,18H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeySKYGRUXJRSJQBQ-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[[2-[(4-iodophenyl)sulfonylamino]acetyl]amino]acetamide
CID 46501725
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990855
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
N-(4-tert-butylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9203847
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571276
N-butyl-2-[[2-(1,1,2,2-tetrafluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
CID 57249769
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
[2-(butylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954138
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide (CID 112990709) is N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide is CCCCNC(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide?
The InChIKey is SKYGRUXJRSJQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-6-11-17-15(19)12-18-22(20,21)14-9-7-13(8-10-14)16(2,3)4/h7-10,18H,5-6,11-12H2,1-4H3,(H,17,19).
What are the key properties of N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide?
N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112990709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).