N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide

C22H23N3O2S2 — CID 50836290

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(C(C)NC(=O)CSc2nccnc2Sc2ccccc2C)cc1
InChIInChI=1S/C22H23N3O2S2/c1-15-6-4-5-7-19(15)29-22-21(23-12-13-24-22)28-14-20(26)25-16(2)17-8-10-18(27-3)11-9-17/h4-13,16H,14H2,1-3H3,(H,25,26)
InChIKeyADWBJVHUHDNMFH-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.91
Rot. Bonds8

About N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide

N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide (PubChem CID 50836290) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
PubChem CID50836290
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(C(C)NC(=O)CSc2nccnc2Sc2ccccc2C)cc1
InChIInChI=1S/C22H23N3O2S2/c1-15-6-4-5-7-19(15)29-22-21(23-12-13-24-22)28-14-20(26)25-16(2)17-8-10-18(27-3)11-9-17/h4-13,16H,14H2,1-3H3,(H,25,26)
InChIKeyADWBJVHUHDNMFH-UHFFFAOYSA-N
XLogP4.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897244
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897245
N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 50835934
N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897230
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897232
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130127
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide (CID 50836290) is N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide is COc1ccc(C(C)NC(=O)CSc2nccnc2Sc2ccccc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide?
The InChIKey is ADWBJVHUHDNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-15-6-4-5-7-19(15)29-22-21(23-12-13-24-22)28-14-20(26)25-16(2)17-8-10-18(27-3)11-9-17/h4-13,16H,14H2,1-3H3,(H,25,26).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide?
N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide has a molecular weight of 425.58 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 50836290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).