N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C18H21NO2S — CID 733609

IUPACN-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2S/c1-3-21-17-9-7-16(8-10-17)19-18(20)13-22-12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyIZIYUXJTMKHPFJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.27
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 733609) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID733609
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCCOc1ccc(NC(=O)CSCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO2S/c1-3-21-17-9-7-16(8-10-17)19-18(20)13-22-12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyIZIYUXJTMKHPFJ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
ethyl 3-[[2-(4-methoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoate
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2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
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2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 26371180
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150734
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
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N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
ethyl 3-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 735299

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 733609) is N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is CCOc1ccc(NC(=O)CSCc2cccc(C)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is IZIYUXJTMKHPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-21-17-9-7-16(8-10-17)19-18(20)13-22-12-15-6-4-5-14(2)11-15/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 733609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).