N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C21H27NO3S — CID 90598039

IUPACN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCOc1ccccc1C(CNC(=O)Cc1ccc(SC(C)C)cc1)OC
InChIInChI=1S/C21H27NO3S/c1-15(2)26-17-11-9-16(10-12-17)13-21(23)22-14-20(25-4)18-7-5-6-8-19(18)24-3/h5-12,15,20H,13-14H2,1-4H3,(H,22,23)
InChIKeyTXIGUKUBKZVZHU-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.24
Rot. Bonds9

About N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 90598039) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID90598039
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCOc1ccccc1C(CNC(=O)Cc1ccc(SC(C)C)cc1)OC
InChIInChI=1S/C21H27NO3S/c1-15(2)26-17-11-9-16(10-12-17)13-21(23)22-14-20(25-4)18-7-5-6-8-19(18)24-3/h5-12,15,20H,13-14H2,1-4H3,(H,22,23)
InChIKeyTXIGUKUBKZVZHU-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379
N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90575655
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 90597977
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90597971
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
2-(4-ethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide
CID 90598744
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 90598011
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 90598039) is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is COc1ccccc1C(CNC(=O)Cc1ccc(SC(C)C)cc1)OC.
What is the InChIKey of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is TXIGUKUBKZVZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-15(2)26-17-11-9-16(10-12-17)13-21(23)22-14-20(25-4)18-7-5-6-8-19(18)24-3/h5-12,15,20H,13-14H2,1-4H3,(H,22,23).
What are the key properties of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 373.52 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 90598039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).