N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide

C11H15NO3S — CID 2236656

IUPACN-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide
SMILESCOc1cc(NC(=O)CSC)cc(OC)c1
InChIInChI=1S/C11H15NO3S/c1-14-9-4-8(5-10(6-9)15-2)12-11(13)7-16-3/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyUSKDNISELOUSRP-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.01
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide

N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide (PubChem CID 2236656) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide
PubChem CID2236656
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide
SMILESCOc1cc(NC(=O)CSC)cc(OC)c1
InChIInChI=1S/C11H15NO3S/c1-14-9-4-8(5-10(6-9)15-2)12-11(13)7-16-3/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyUSKDNISELOUSRP-UHFFFAOYSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide (CID 2236656) is N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide is COc1cc(NC(=O)CSC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide?
The InChIKey is USKDNISELOUSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-14-9-4-8(5-10(6-9)15-2)12-11(13)7-16-3/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide?
N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide has a molecular weight of 241.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 2236656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).