2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C19H23NO4S — CID 9483315

IUPAC2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CSc2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C19H23NO4S/c1-13-7-5-6-8-17(13)25-12-18(21)20-11-14-9-15(22-2)19(24-4)16(10-14)23-3/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyZPUNKBVAFSMEHR-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.43
Rot. Bonds8

About 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 9483315) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID9483315
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CSc2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C19H23NO4S/c1-13-7-5-6-8-17(13)25-12-18(21)20-11-14-9-15(22-2)19(24-4)16(10-14)23-3/h5-10H,11-12H2,1-4H3,(H,20,21)
InChIKeyZPUNKBVAFSMEHR-UHFFFAOYSA-N
XLogP3.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 46586301
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 17494927
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 33248390
2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27971803
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34436819
N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 50835934
ethyl 2-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]sulfanylacetate
CID 9286947
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
2-amino-2-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119272323
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
2-(1-methylimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9200933

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 9483315) is 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CSc2ccccc2C)cc(OC)c1OC.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is ZPUNKBVAFSMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13-7-5-6-8-17(13)25-12-18(21)20-11-14-9-15(22-2)19(24-4)16(10-14)23-3/h5-10H,11-12H2,1-4H3,(H,20,21).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 361.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9483315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).