N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide

C18H21NO3S — CID 86845710

IUPACN-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1C
InChIInChI=1S/C18H21NO3S/c1-4-22-17-10-5-14(11-13(17)2)19-18(20)12-23-16-8-6-15(21-3)7-9-16/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyZOQDQYDUGKWNQX-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.13
Rot. Bonds7

About N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 86845710) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID86845710
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1C
InChIInChI=1S/C18H21NO3S/c1-4-22-17-10-5-14(11-13(17)2)19-18(20)12-23-16-8-6-15(21-3)7-9-16/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyZOQDQYDUGKWNQX-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23095935
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 86845710) is N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is ZOQDQYDUGKWNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-4-22-17-10-5-14(11-13(17)2)19-18(20)12-23-16-8-6-15(21-3)7-9-16/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 331.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 86845710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).