N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide

C15H25N3O3S — CID 119656314

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H25N3O3S/c1-5-22(20,21)17-13-9-7-6-8-12(13)14(19)18(4)11-15(2,3)10-16/h6-9,17H,5,10-11,16H2,1-4H3
InChIKeyFKZCJLTZWAGUIO-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.51
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide (PubChem CID 119656314) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
PubChem CID119656314
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
SMILESCCS(=O)(=O)Nc1ccccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H25N3O3S/c1-5-22(20,21)17-13-9-7-6-8-12(13)14(19)18(4)11-15(2,3)10-16/h6-9,17H,5,10-11,16H2,1-4H3
InChIKeyFKZCJLTZWAGUIO-UHFFFAOYSA-N
XLogP1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide (CID 119656314) is N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide is CCS(=O)(=O)Nc1ccccc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide?
The InChIKey is FKZCJLTZWAGUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-22(20,21)17-13-9-7-6-8-12(13)14(19)18(4)11-15(2,3)10-16/h6-9,17H,5,10-11,16H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide has a molecular weight of 327.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide is sourced from PubChem (CID 119656314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).