2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

C20H25NO3S — CID 92676888

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H25NO3S/c1-13-6-7-14(2)17(10-13)15(3)21-20(22)12-25-16-8-9-18(23-4)19(11-16)24-5/h6-11,15H,12H2,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyVYYKYWXRUZOBMH-HNNXBMFYSA-N
MW359.49 g/mol
LogP4.29
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (PubChem CID 92676888) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
PubChem CID92676888
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H25NO3S/c1-13-6-7-14(2)17(10-13)15(3)21-20(22)12-25-16-8-9-18(23-4)19(11-16)24-5/h6-11,15H,12H2,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyVYYKYWXRUZOBMH-HNNXBMFYSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 99950807
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46771387
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94018852
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide
CID 132761737
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (CID 92676888) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is COc1ccc(SCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is VYYKYWXRUZOBMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-13-6-7-14(2)17(10-13)15(3)21-20(22)12-25-16-8-9-18(23-4)19(11-16)24-5/h6-11,15H,12H2,1-5H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 359.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 92676888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).