N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide

C18H21NO2S — CID 28954114

IUPACN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-3-21-16-11-9-15(10-12-16)14(2)19-18(20)13-22-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyWZGJXOYLDAMSOE-AWEZNQCLSA-N
MW315.44 g/mol
LogP4.05
Rot. Bonds7

About N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide (PubChem CID 28954114) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
PubChem CID28954114
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-3-21-16-11-9-15(10-12-16)14(2)19-18(20)13-22-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyWZGJXOYLDAMSOE-AWEZNQCLSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(4-ethoxyphenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 41095805
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350
N-[1-(4-ethoxyphenyl)ethyl]-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55473948
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 9429409
2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 78503288
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 43630659

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide (CID 28954114) is N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide is CCOc1ccc([C@H](C)NC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide?
The InChIKey is WZGJXOYLDAMSOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-21-16-11-9-15(10-12-16)14(2)19-18(20)13-22-17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide?
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 28954114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).