N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide

C16H24N4O3S — CID 78490248

IUPACN-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide
SMILESCCCSC1NC(=O)C(NC(=O)c2ccc(OCC)cc2)C(N)N1
InChIInChI=1S/C16H24N4O3S/c1-3-9-24-16-19-13(17)12(15(22)20-16)18-14(21)10-5-7-11(8-6-10)23-4-2/h5-8,12-13,16,19H,3-4,9,17H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyRIOUFKUUUJVSFE-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.61
Rot. Bonds7

About N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide

N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide (PubChem CID 78490248) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide
PubChem CID78490248
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide
SMILESCCCSC1NC(=O)C(NC(=O)c2ccc(OCC)cc2)C(N)N1
InChIInChI=1S/C16H24N4O3S/c1-3-9-24-16-19-13(17)12(15(22)20-16)18-14(21)10-5-7-11(8-6-10)23-4-2/h5-8,12-13,16,19H,3-4,9,17H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyRIOUFKUUUJVSFE-UHFFFAOYSA-N
XLogP0.61
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide
CID 73329740
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-(2-amino-4-ethoxycyclobutyl)-4-ethoxybenzamide
CID 66195694
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide?
The IUPAC name of N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide (CID 78490248) is N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide is CCCSC1NC(=O)C(NC(=O)c2ccc(OCC)cc2)C(N)N1.
What is the InChIKey of N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide?
The InChIKey is RIOUFKUUUJVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-3-9-24-16-19-13(17)12(15(22)20-16)18-14(21)10-5-7-11(8-6-10)23-4-2/h5-8,12-13,16,19H,3-4,9,17H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide?
N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide has a molecular weight of 352.46 g/mol, XLogP of 0.61, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide is sourced from PubChem (CID 78490248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).