2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide

C20H25NO5S — CID 38007652

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5S/c1-14(12-26-16-7-5-15(23-2)6-8-16)21-20(22)13-27-17-9-10-18(24-3)19(11-17)25-4/h5-11,14H,12-13H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyWPNRVSXUNOWJQL-AWEZNQCLSA-N
MW391.49 g/mol
LogP3.39
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide (PubChem CID 38007652) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
PubChem CID38007652
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5S/c1-14(12-26-16-7-5-15(23-2)6-8-16)21-20(22)13-27-17-9-10-18(24-3)19(11-17)25-4/h5-11,14H,12-13H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyWPNRVSXUNOWJQL-AWEZNQCLSA-N
XLogP3.39
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 46763249
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46770370
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 99998889
1-(3,4-dimethoxyphenyl)-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100579748
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 99950807
methyl 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43406395
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 92676888

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide (CID 38007652) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide is COc1ccc(OC[C@H](C)NC(=O)CSc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide?
The InChIKey is WPNRVSXUNOWJQL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-14(12-26-16-7-5-15(23-2)6-8-16)21-20(22)13-27-17-9-10-18(24-3)19(11-17)25-4/h5-11,14H,12-13H2,1-4H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 38007652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).