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

C22H23N3O2S2 — CID 92897245

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
SMILESCOc1cccc([C@@H](C)NC(=O)CSc2nccnc2Sc2ccccc2C)c1
InChIInChI=1S/C22H23N3O2S2/c1-15-7-4-5-10-19(15)29-22-21(23-11-12-24-22)28-14-20(26)25-16(2)17-8-6-9-18(13-17)27-3/h4-13,16H,14H2,1-3H3,(H,25,26)/t16-/m1/s1
InChIKeyZZFFDXZRFNNTDB-MRXNPFEDSA-N
MW425.58 g/mol
LogP4.91
Rot. Bonds8

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

N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide (PubChem CID 92897245) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
PubChem CID92897245
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
SMILESCOc1cccc([C@@H](C)NC(=O)CSc2nccnc2Sc2ccccc2C)c1
InChIInChI=1S/C22H23N3O2S2/c1-15-7-4-5-10-19(15)29-22-21(23-11-12-24-22)28-14-20(26)25-16(2)17-8-6-9-18(13-17)27-3/h4-13,16H,14H2,1-3H3,(H,25,26)/t16-/m1/s1
InChIKeyZZFFDXZRFNNTDB-MRXNPFEDSA-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-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 50836290
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897244
N-[1-(3-methoxyphenyl)ethyl]-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130127
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-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
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-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 84884812

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide (CID 92897245) is N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide is COc1cccc([C@@H](C)NC(=O)CSc2nccnc2Sc2ccccc2C)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide?
The InChIKey is ZZFFDXZRFNNTDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-15-7-4-5-10-19(15)29-22-21(23-11-12-24-22)28-14-20(26)25-16(2)17-8-6-9-18(13-17)27-3/h4-13,16H,14H2,1-3H3,(H,25,26)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide?
N-[(1R)-1-(3-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-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 92897245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).