2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

C19H23NO3S — CID 8928793

IUPAC2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H23NO3S/c1-14-4-9-18(23-3)16(10-14)12-24-13-19(21)20-11-15-5-7-17(22-2)8-6-15/h4-10H,11-13H2,1-3H3,(H,20,21)
InChIKeyKONIALNZEVXYDP-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.56
Rot. Bonds8

About 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 8928793) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID8928793
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H23NO3S/c1-14-4-9-18(23-3)16(10-14)12-24-13-19(21)20-11-15-5-7-17(22-2)8-6-15/h4-10H,11-13H2,1-3H3,(H,20,21)
InChIKeyKONIALNZEVXYDP-UHFFFAOYSA-N
XLogP3.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]acetamide
CID 8928835
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
N-[(4-methoxyphenyl)methyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7973630
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94043023
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53278903
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 8928793) is 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSCc2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is KONIALNZEVXYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-4-9-18(23-3)16(10-14)12-24-13-19(21)20-11-15-5-7-17(22-2)8-6-15/h4-10H,11-13H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8928793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).