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

C16H26N2O3S — CID 110358631

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

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

N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide (PubChem CID 110358631) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
PubChem CID110358631
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
SMILESCC(=O)NCCCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-13(19)17-11-5-6-12-18-22(20,21)15-9-7-14(8-10-15)16(2,3)4/h7-10,18H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyRWKNPNCIPURUEY-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'}

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Related Compounds

N-[3-[(4-propanoylphenyl)sulfonylamino]propyl]acetamide
CID 94779348
N-butyl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990709
tert-butyl 4-[(4-tert-butylphenyl)sulfonylamino]butanoate
CID 4988429
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
2,5-bis[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 135183823
N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
CID 110356844
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butyl]acetamide
CID 110417592
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
CID 113051954
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide?
The IUPAC name of N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide (CID 110358631) is N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide.
What is the SMILES notation for N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide?
The canonical SMILES for N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide is CC(=O)NCCCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide?
The InChIKey is RWKNPNCIPURUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(19)17-11-5-6-12-18-22(20,21)15-9-7-14(8-10-15)16(2,3)4/h7-10,18H,5-6,11-12H2,1-4H3,(H,17,19).
What are the key properties of N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide?
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]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-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide is sourced from PubChem (CID 110358631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).