N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide

C19H22Cl2N6O3S — CID 2982514

IUPACN-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N6O3S/c20-13-1-2-15(14(21)11-13)22-16(28)12-31-19-24-17(26-3-7-29-8-4-26)23-18(25-19)27-5-9-30-10-6-27/h1-2,11H,3-10,12H2,(H,22,28)
InChIKeyWBDZAKYHIBHPAU-UHFFFAOYSA-N
MW485.40 g/mol
LogP2.58
Rot. Bonds6

About N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide

N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide (PubChem CID 2982514) has the molecular formula C19H22Cl2N6O3S and a molecular weight of 485.40 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
PubChem CID2982514
Molecular FormulaC19H22Cl2N6O3S
Molecular Weight485.40 g/mol
Exact Mass484.09
IUPAC NameN-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N6O3S/c20-13-1-2-15(14(21)11-13)22-16(28)12-31-19-24-17(26-3-7-29-8-4-26)23-18(25-19)27-5-9-30-10-6-27/h1-2,11H,3-10,12H2,(H,22,28)
InChIKeyWBDZAKYHIBHPAU-UHFFFAOYSA-N
XLogP2.58
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide (CID 2982514) is N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide is O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The InChIKey is WBDZAKYHIBHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N6O3S/c20-13-1-2-15(14(21)11-13)22-16(28)12-31-19-24-17(26-3-7-29-8-4-26)23-18(25-19)27-5-9-30-10-6-27/h1-2,11H,3-10,12H2,(H,22,28).
What are the key properties of N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide?
N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide has a molecular weight of 485.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2982514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).