N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide

C24H33N5OS — CID 46393595

IUPACN-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
SMILESCc1cccc(N2CCN(c3nccnc3SCC(=O)NC3CCCCC3)CC2)c1C
InChIInChI=1S/C24H33N5OS/c1-18-7-6-10-21(19(18)2)28-13-15-29(16-14-28)23-24(26-12-11-25-23)31-17-22(30)27-20-8-4-3-5-9-20/h6-7,10-12,20H,3-5,8-9,13-17H2,1-2H3,(H,27,30)
InChIKeyUZTLCWZMZGXVAU-UHFFFAOYSA-N
MW439.63 g/mol
LogP3.96
Rot. Bonds6

About N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide

N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide (PubChem CID 46393595) has the molecular formula C24H33N5OS and a molecular weight of 439.63 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
PubChem CID46393595
Molecular FormulaC24H33N5OS
Molecular Weight439.63 g/mol
Exact Mass439.24
IUPAC NameN-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
SMILESCc1cccc(N2CCN(c3nccnc3SCC(=O)NC3CCCCC3)CC2)c1C
InChIInChI=1S/C24H33N5OS/c1-18-7-6-10-21(19(18)2)28-13-15-29(16-14-28)23-24(26-12-11-25-23)31-17-22(30)27-20-8-4-3-5-9-20/h6-7,10-12,20H,3-5,8-9,13-17H2,1-2H3,(H,27,30)
InChIKeyUZTLCWZMZGXVAU-UHFFFAOYSA-N
XLogP3.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide (CID 46393595) is N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide is Cc1cccc(N2CCN(c3nccnc3SCC(=O)NC3CCCCC3)CC2)c1C.
What is the InChIKey of N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The InChIKey is UZTLCWZMZGXVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5OS/c1-18-7-6-10-21(19(18)2)28-13-15-29(16-14-28)23-24(26-12-11-25-23)31-17-22(30)27-20-8-4-3-5-9-20/h6-7,10-12,20H,3-5,8-9,13-17H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide has a molecular weight of 439.63 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46393595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).