N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide

C15H23N3O2S — CID 119639773

IUPACN-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccccc1SCC(N)=O
InChIInChI=1S/C15H23N3O2S/c1-3-15(17,4-2)10-18-14(20)11-7-5-6-8-12(11)21-9-13(16)19/h5-8H,3-4,9-10,17H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyCEIUHVOXXQJPBI-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.51
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide

N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide (PubChem CID 119639773) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
PubChem CID119639773
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1ccccc1SCC(N)=O
InChIInChI=1S/C15H23N3O2S/c1-3-15(17,4-2)10-18-14(20)11-7-5-6-8-12(11)21-9-13(16)19/h5-8H,3-4,9-10,17H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyCEIUHVOXXQJPBI-UHFFFAOYSA-N
XLogP1.51
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 119642500
N-(2-amino-2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide;dihydrochloride
CID 119639859
N-(2-amino-2-ethylbutyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119643073
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864
2-(2-amino-2-oxoethyl)sulfanyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525363
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
CID 119639934
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
CID 37315858
N-(2-amino-2-methylpropyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119627706
N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
CID 81483938
N-(2-amino-2-oxoethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9295788

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide (CID 119639773) is N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide is CCC(N)(CC)CNC(=O)c1ccccc1SCC(N)=O.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The InChIKey is CEIUHVOXXQJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-15(17,4-2)10-18-14(20)11-7-5-6-8-12(11)21-9-13(16)19/h5-8H,3-4,9-10,17H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide has a molecular weight of 309.44 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide is sourced from PubChem (CID 119639773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).