4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide

C19H33N3O3S — CID 113066394

IUPAC4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
SMILESCN(C)CCCN(CCNC(=O)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H33N3O3S/c1-19(2,3)17-10-8-16(9-11-17)18(23)20-12-15-22(26(6,24)25)14-7-13-21(4)5/h8-11H,7,12-15H2,1-6H3,(H,20,23)
InChIKeyBGXZDAMNAMTKEC-UHFFFAOYSA-N
MW383.56 g/mol
LogP1.93
Rot. Bonds9

About 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide

4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide (PubChem CID 113066394) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
PubChem CID113066394
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC Name4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
SMILESCN(C)CCCN(CCNC(=O)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H33N3O3S/c1-19(2,3)17-10-8-16(9-11-17)18(23)20-12-15-22(26(6,24)25)14-7-13-21(4)5/h8-11H,7,12-15H2,1-6H3,(H,20,23)
InChIKeyBGXZDAMNAMTKEC-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
CID 113064845
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065961
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide (CID 113066394) is 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide is CN(C)CCCN(CCNC(=O)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide?
The InChIKey is BGXZDAMNAMTKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-19(2,3)17-10-8-16(9-11-17)18(23)20-12-15-22(26(6,24)25)14-7-13-21(4)5/h8-11H,7,12-15H2,1-6H3,(H,20,23).
What are the key properties of 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide?
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide has a molecular weight of 383.56 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113066394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).