N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide

C14H20N2O2S — CID 79217631

IUPACN-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide
SMILESCCOC1CC(N)C1NC(=O)c1ccccc1SC
InChIInChI=1S/C14H20N2O2S/c1-3-18-11-8-10(15)13(11)16-14(17)9-6-4-5-7-12(9)19-2/h4-7,10-11,13H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyOWNPWZNCTFDEQG-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.64
Rot. Bonds5

About N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide

N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide (PubChem CID 79217631) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide
PubChem CID79217631
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide
SMILESCCOC1CC(N)C1NC(=O)c1ccccc1SC
InChIInChI=1S/C14H20N2O2S/c1-3-18-11-8-10(15)13(11)16-14(17)9-6-4-5-7-12(9)19-2/h4-7,10-11,13H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyOWNPWZNCTFDEQG-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
CID 66195102
N-(2-amino-4-ethoxycyclobutyl)naphthalene-1-carboxamide
CID 66194914
N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677163
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-5-methylbenzamide
CID 66196271
N-(2-amino-4-ethoxycyclobutyl)-5-fluoro-2-methylbenzamide
CID 66196265
N-(2-amino-4-ethoxycyclobutyl)-2,4-dihydroxybenzamide
CID 66195669
N-(2-amino-4-ethoxycyclobutyl)-2-chlorofuran-3-carboxamide
CID 106688549
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-methoxybenzamide
CID 102884059
N-(2-amino-4-ethoxycyclobutyl)-4-bromo-2-hydroxybenzamide
CID 66197803
N-(2-amino-4-ethoxycyclobutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772875

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide (CID 79217631) is N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide is CCOC1CC(N)C1NC(=O)c1ccccc1SC.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide?
The InChIKey is OWNPWZNCTFDEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-18-11-8-10(15)13(11)16-14(17)9-6-4-5-7-12(9)19-2/h4-7,10-11,13H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide?
N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide has a molecular weight of 280.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 79217631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).