3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide

C21H27NO3S — CID 55536116

IUPAC3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCOc1ccc(SCCC(=O)NCCCOC(C)c2ccccc2)cc1
InChIInChI=1S/C21H27NO3S/c1-17(18-7-4-3-5-8-18)25-15-6-14-22-21(23)13-16-26-20-11-9-19(24-2)10-12-20/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,22,23)
InChIKeyCPBBTVRHFNMELV-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.46
Rot. Bonds11

About 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide

3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide (PubChem CID 55536116) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
PubChem CID55536116
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCOc1ccc(SCCC(=O)NCCCOC(C)c2ccccc2)cc1
InChIInChI=1S/C21H27NO3S/c1-17(18-7-4-3-5-8-18)25-15-6-14-22-21(23)13-16-26-20-11-9-19(24-2)10-12-20/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,22,23)
InChIKeyCPBBTVRHFNMELV-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 134039850
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
N-(2-hydroxypropyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 78828527
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218767
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide (CID 55536116) is 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide is COc1ccc(SCCC(=O)NCCCOC(C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide?
The InChIKey is CPBBTVRHFNMELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-17(18-7-4-3-5-8-18)25-15-6-14-22-21(23)13-16-26-20-11-9-19(24-2)10-12-20/h3-5,7-12,17H,6,13-16H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide?
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide has a molecular weight of 373.52 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide is sourced from PubChem (CID 55536116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).