N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide

C17H28N2O3S — CID 113051954

IUPACN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
SMILESCCCN(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(C)=O
InChIInChI=1S/C17H28N2O3S/c1-6-12-19(14(2)20)13-11-18-23(21,22)16-9-7-15(8-10-16)17(3,4)5/h7-10,18H,6,11-13H2,1-5H3
InChIKeyJJZJZUJULVVVOG-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.52
Rot. Bonds7

About N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide (PubChem CID 113051954) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
PubChem CID113051954
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
SMILESCCCN(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(C)=O
InChIInChI=1S/C17H28N2O3S/c1-6-12-19(14(2)20)13-11-18-23(21,22)16-9-7-15(8-10-16)17(3,4)5/h7-10,18H,6,11-13H2,1-5H3
InChIKeyJJZJZUJULVVVOG-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056923
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide
CID 113051933
N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113051922
N-(2-methoxyethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113053213
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053214
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055795
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide (CID 113051954) is N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide is CCCN(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(C)=O.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide?
The InChIKey is JJZJZUJULVVVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-12-19(14(2)20)13-11-18-23(21,22)16-9-7-15(8-10-16)17(3,4)5/h7-10,18H,6,11-13H2,1-5H3.
What are the key properties of N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide?
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide has a molecular weight of 340.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide is sourced from PubChem (CID 113051954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).