2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide

C19H23NO2S — CID 86893364

IUPAC2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide
SMILESCOc1cccc(SCC(=O)N(c2ccccc2C)C(C)C)c1
InChIInChI=1S/C19H23NO2S/c1-14(2)20(18-11-6-5-8-15(18)3)19(21)13-23-17-10-7-9-16(12-17)22-4/h5-12,14H,13H2,1-4H3
InChIKeyLAXDGFKVRMXHGZ-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.54
Rot. Bonds6

About 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide

2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide (PubChem CID 86893364) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide
PubChem CID86893364
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide
SMILESCOc1cccc(SCC(=O)N(c2ccccc2C)C(C)C)c1
InChIInChI=1S/C19H23NO2S/c1-14(2)20(18-11-6-5-8-15(18)3)19(21)13-23-17-10-7-9-16(12-17)22-4/h5-12,14H,13H2,1-4H3
InChIKeyLAXDGFKVRMXHGZ-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 97260253
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-(3-aminophenyl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 79128558
3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
2-[(3-methoxyphenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
CID 132655936
(2R)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 92924453
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
CID 131924399
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119656300

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide (CID 86893364) is 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide is COc1cccc(SCC(=O)N(c2ccccc2C)C(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide?
The InChIKey is LAXDGFKVRMXHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14(2)20(18-11-6-5-8-15(18)3)19(21)13-23-17-10-7-9-16(12-17)22-4/h5-12,14H,13H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide?
2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide has a molecular weight of 329.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 86893364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).