N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide

C22H29ClN6O2S — CID 2224202

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H29ClN6O2S/c1-31-18-9-8-16(23)14-17(18)24-19(30)15-32-22-26-20(28-10-4-2-5-11-28)25-21(27-22)29-12-6-3-7-13-29/h8-9,14H,2-7,10-13,15H2,1H3,(H,24,30)
InChIKeyVSMWQENTMWTEEM-UHFFFAOYSA-N
MW477.03 g/mol
LogP4.24
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 2224202) has the molecular formula C22H29ClN6O2S and a molecular weight of 477.03 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID2224202
Molecular FormulaC22H29ClN6O2S
Molecular Weight477.03 g/mol
Exact Mass476.18
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H29ClN6O2S/c1-31-18-9-8-16(23)14-17(18)24-19(30)15-32-22-26-20(28-10-4-2-5-11-28)25-21(27-22)29-12-6-3-7-13-29/h8-9,14H,2-7,10-13,15H2,1H3,(H,24,30)
InChIKeyVSMWQENTMWTEEM-UHFFFAOYSA-N
XLogP4.24
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 2224202) is N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is VSMWQENTMWTEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O2S/c1-31-18-9-8-16(23)14-17(18)24-19(30)15-32-22-26-20(28-10-4-2-5-11-28)25-21(27-22)29-12-6-3-7-13-29/h8-9,14H,2-7,10-13,15H2,1H3,(H,24,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 477.03 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2224202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).