2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

C17H21NO2S2 — CID 78794262

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCCOc1ccc(SCC(=O)N(C)Cc2sccc2C)cc1
InChIInChI=1S/C17H21NO2S2/c1-4-20-14-5-7-15(8-6-14)22-12-17(19)18(3)11-16-13(2)9-10-21-16/h5-10H,4,11-12H2,1-3H3
InChIKeyQVVMMZZFTCRZEM-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.21
Rot. Bonds7

About 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 78794262) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID78794262
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCCOc1ccc(SCC(=O)N(C)Cc2sccc2C)cc1
InChIInChI=1S/C17H21NO2S2/c1-4-20-14-5-7-15(8-6-14)22-12-17(19)18(3)11-16-13(2)9-10-21-16/h5-10H,4,11-12H2,1-3H3
InChIKeyQVVMMZZFTCRZEM-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86852315
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2-(4-ethoxyphenyl)sulfanyl-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202563
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 86912273
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9429343
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 56509566
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 78794262) is 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is CCOc1ccc(SCC(=O)N(C)Cc2sccc2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is QVVMMZZFTCRZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-4-20-14-5-7-15(8-6-14)22-12-17(19)18(3)11-16-13(2)9-10-21-16/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 335.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 78794262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).