2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

C16H20N2O2S2 — CID 86852315

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCOc1ccc(SCC(=O)N(C)Cc2csc(C)n2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-4-20-14-5-7-15(8-6-14)22-11-16(19)18(3)9-13-10-21-12(2)17-13/h5-8,10H,4,9,11H2,1-3H3
InChIKeyUHQBFXQLLWQIKP-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.60
Rot. Bonds7

About 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 86852315) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID86852315
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCOc1ccc(SCC(=O)N(C)Cc2csc(C)n2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-4-20-14-5-7-15(8-6-14)22-11-16(19)18(3)9-13-10-21-12(2)17-13/h5-8,10H,4,9,11H2,1-3H3
InChIKeyUHQBFXQLLWQIKP-UHFFFAOYSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78794262
2-(4-fluorophenoxy)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718196
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 86853852
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86852414
2-(4-ethoxyphenyl)sulfanyl-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202563
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 86912273
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24686006
(E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 134011161
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 56509566
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 31167855
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 86852315) is 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is CCOc1ccc(SCC(=O)N(C)Cc2csc(C)n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is UHQBFXQLLWQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-4-20-14-5-7-15(8-6-14)22-11-16(19)18(3)9-13-10-21-12(2)17-13/h5-8,10H,4,9,11H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 86852315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).