N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide

C18H21NO3S — CID 46586301

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSc2ccccc2C)c1OC
InChIInChI=1S/C18H21NO3S/c1-13-7-4-5-10-16(13)23-12-17(20)19-11-14-8-6-9-15(21-2)18(14)22-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyXHWNTTMXQRAHCP-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.42
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 46586301) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID46586301
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSc2ccccc2C)c1OC
InChIInChI=1S/C18H21NO3S/c1-13-7-4-5-10-16(13)23-12-17(20)19-11-14-8-6-9-15(21-2)18(14)22-3/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyXHWNTTMXQRAHCP-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483315
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
1-(2-fluoro-3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 104793477
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
2-(2-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9142848
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 53365772
2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 17344823
N-[(2,3-dimethoxyphenyl)methyl]-2-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanylacetamide
CID 46507320

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide (CID 46586301) is N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide is COc1cccc(CNC(=O)CSc2ccccc2C)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is XHWNTTMXQRAHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-7-4-5-10-16(13)23-12-17(20)19-11-14-8-6-9-15(21-2)18(14)22-3/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 331.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 46586301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).