N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide

C17H27N3O4S — CID 119655900

IUPACN-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H27N3O4S/c1-17(2,11-18)12-20(5)16(22)13-6-8-14(9-7-13)25(23,24)10-15(21)19(3)4/h6-9H,10-12,18H2,1-5H3
InChIKeyCXEHOUOENOCSJW-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.61
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide (PubChem CID 119655900) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide
PubChem CID119655900
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H27N3O4S/c1-17(2,11-18)12-20(5)16(22)13-6-8-14(9-7-13)25(23,24)10-15(21)19(3)4/h6-9H,10-12,18H2,1-5H3
InChIKeyCXEHOUOENOCSJW-UHFFFAOYSA-N
XLogP0.61
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 119656163
N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 119656595
N-(3-amino-2,2-dimethylpropyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119656646
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(pyridin-4-ylsulfamoyl)benzamide;dihydrochloride
CID 119656862
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119654023
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide (CID 119655900) is N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide is CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide?
The InChIKey is CXEHOUOENOCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-17(2,11-18)12-20(5)16(22)13-6-8-14(9-7-13)25(23,24)10-15(21)19(3)4/h6-9H,10-12,18H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide has a molecular weight of 369.49 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide is sourced from PubChem (CID 119655900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).