N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide

C21H24FN5O4S — CID 73329740

IUPACN-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2C(=O)NC(SCC(=O)Nc3ccccc3F)NC2N)cc1
InChIInChI=1S/C21H24FN5O4S/c1-2-31-13-9-7-12(8-10-13)19(29)25-17-18(23)26-21(27-20(17)30)32-11-16(28)24-15-6-4-3-5-14(15)22/h3-10,17-18,21,26H,2,11,23H2,1H3,(H,24,28)(H,25,29)(H,27,30)
InChIKeyRZIGFSQYXVYNSZ-UHFFFAOYSA-N
MW461.52 g/mol
LogP0.98
Rot. Bonds8

About N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide

N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide (PubChem CID 73329740) has the molecular formula C21H24FN5O4S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide
PubChem CID73329740
Molecular FormulaC21H24FN5O4S
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC NameN-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2C(=O)NC(SCC(=O)Nc3ccccc3F)NC2N)cc1
InChIInChI=1S/C21H24FN5O4S/c1-2-31-13-9-7-12(8-10-13)19(29)25-17-18(23)26-21(27-20(17)30)32-11-16(28)24-15-6-4-3-5-14(15)22/h3-10,17-18,21,26H,2,11,23H2,1H3,(H,24,28)(H,25,29)(H,27,30)
InChIKeyRZIGFSQYXVYNSZ-UHFFFAOYSA-N
XLogP0.98
TPSA134.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 50.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide with MolForge

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Related Compounds

N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide
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5-ethoxy-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 146277110
N-(2-acetamidophenyl)-4-ethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide?
The IUPAC name of N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide (CID 73329740) is N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2C(=O)NC(SCC(=O)Nc3ccccc3F)NC2N)cc1.
What is the InChIKey of N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide?
The InChIKey is RZIGFSQYXVYNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O4S/c1-2-31-13-9-7-12(8-10-13)19(29)25-17-18(23)26-21(27-20(17)30)32-11-16(28)24-15-6-4-3-5-14(15)22/h3-10,17-18,21,26H,2,11,23H2,1H3,(H,24,28)(H,25,29)(H,27,30).
What are the key properties of N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide?
N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide has a molecular weight of 461.52 g/mol, XLogP of 0.98, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-ethoxybenzamide is sourced from PubChem (CID 73329740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).