N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide

C15H16ClN5O4S — CID 134064845

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H16ClN5O4S/c16-9-2-1-3-10(12(9)21-4-6-25-7-5-21)17-11(22)8-26-14-13(23)18-15(24)20-19-14/h1-3H,4-8H2,(H,17,22)(H2,18,20,23,24)
InChIKeyHJYWTNAAWJJVOL-UHFFFAOYSA-N
MW397.84 g/mol
LogP0.68
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide (PubChem CID 134064845) has the molecular formula C15H16ClN5O4S and a molecular weight of 397.84 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
PubChem CID134064845
Molecular FormulaC15H16ClN5O4S
Molecular Weight397.84 g/mol
Exact Mass397.06
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H16ClN5O4S/c16-9-2-1-3-10(12(9)21-4-6-25-7-5-21)17-11(22)8-26-14-13(23)18-15(24)20-19-14/h1-3H,4-8H2,(H,17,22)(H2,18,20,23,24)
InChIKeyHJYWTNAAWJJVOL-UHFFFAOYSA-N
XLogP0.68
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide (CID 134064845) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide?
The InChIKey is HJYWTNAAWJJVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O4S/c16-9-2-1-3-10(12(9)21-4-6-25-7-5-21)17-11(22)8-26-14-13(23)18-15(24)20-19-14/h1-3H,4-8H2,(H,17,22)(H2,18,20,23,24).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide has a molecular weight of 397.84 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 134064845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).