N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide

C15H23NO3S — CID 112763526

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
SMILESCCOc1ccc(CCNC(=O)CSC)cc1OCC
InChIInChI=1S/C15H23NO3S/c1-4-18-13-7-6-12(10-14(13)19-5-2)8-9-16-15(17)11-20-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,16,17)
InChIKeyZEKHPJQDDMBNMO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.51
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide (PubChem CID 112763526) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
PubChem CID112763526
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
SMILESCCOc1ccc(CCNC(=O)CSC)cc1OCC
InChIInChI=1S/C15H23NO3S/c1-4-18-13-7-6-12(10-14(13)19-5-2)8-9-16-15(17)11-20-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,16,17)
InChIKeyZEKHPJQDDMBNMO-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 3440656
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 40903482
tert-butyl N-[2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84557364
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46612313
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide (CID 112763526) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide is CCOc1ccc(CCNC(=O)CSC)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide?
The InChIKey is ZEKHPJQDDMBNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-18-13-7-6-12(10-14(13)19-5-2)8-9-16-15(17)11-20-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide has a molecular weight of 297.42 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 112763526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).