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

C21H27NO5S — CID 46763249

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(OCC(C)NC(=O)C(C)Sc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO5S/c1-14(13-27-17-8-6-16(24-3)7-9-17)22-21(23)15(2)28-18-10-11-19(25-4)20(12-18)26-5/h6-12,14-15H,13H2,1-5H3,(H,22,23)
InChIKeyLMCNJSLQYKEWKX-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.78
Rot. Bonds10

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

2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide (PubChem CID 46763249) has the molecular formula C21H27NO5S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
PubChem CID46763249
Molecular FormulaC21H27NO5S
Molecular Weight405.52 g/mol
Exact Mass405.16
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(OCC(C)NC(=O)C(C)Sc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO5S/c1-14(13-27-17-8-6-16(24-3)7-9-17)22-21(23)15(2)28-18-10-11-19(25-4)20(12-18)26-5/h6-12,14-15H,13H2,1-5H3,(H,22,23)
InChIKeyLMCNJSLQYKEWKX-UHFFFAOYSA-N
XLogP3.78
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 38007652
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92673492
(2R)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 94012194
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487492
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46763937
2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46763374
2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide
CID 43907587
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487637
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390512
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 30390507
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94011925
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
CID 92678294

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide (CID 46763249) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide is COc1ccc(OCC(C)NC(=O)C(C)Sc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The InChIKey is LMCNJSLQYKEWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5S/c1-14(13-27-17-8-6-16(24-3)7-9-17)22-21(23)15(2)28-18-10-11-19(25-4)20(12-18)26-5/h6-12,14-15H,13H2,1-5H3,(H,22,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide has a molecular weight of 405.52 g/mol, XLogP of 3.78, 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-[1-(4-methoxyphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 46763249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).