N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide

C13H20N2O3S — CID 119629127

IUPACN-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N
InChIInChI=1S/C13H20N2O3S/c1-4-19(17,18)11-8-6-5-7-10(11)12(16)15-9-13(2,3)14/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyFMJVCLOVYXDHEP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.95
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide

N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide (PubChem CID 119629127) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
PubChem CID119629127
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N
InChIInChI=1S/C13H20N2O3S/c1-4-19(17,18)11-8-6-5-7-10(11)12(16)15-9-13(2,3)14/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyFMJVCLOVYXDHEP-UHFFFAOYSA-N
XLogP0.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
CID 103713016
N-(2-amino-2-methylpropyl)-2-propan-2-ylsulfonylbenzamide;hydrochloride
CID 119629770
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
N-(3-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119997396
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
CID 115700538
(2S)-3-[(2-ethylsulfonylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107832831
2-(2,2-dimethylbutylcarbamoyl)benzenesulfonic acid
CID 54199366

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide (CID 119629127) is N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide?
The InChIKey is FMJVCLOVYXDHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-19(17,18)11-8-6-5-7-10(11)12(16)15-9-13(2,3)14/h5-8H,4,9,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide?
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide is sourced from PubChem (CID 119629127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).