N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide

C16H17NO2S — CID 107027641

IUPACN-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cc2ccc(S)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-17(13-5-7-14(19-2)8-6-13)16(18)11-12-3-9-15(20)10-4-12/h3-10,20H,11H2,1-2H3
InChIKeyAWXQMBAXHNYOCD-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.19
Rot. Bonds4

About N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide

N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107027641) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107027641
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCOc1ccc(N(C)C(=O)Cc2ccc(S)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-17(13-5-7-14(19-2)8-6-13)16(18)11-12-3-9-15(20)10-4-12/h3-10,20H,11H2,1-2H3
InChIKeyAWXQMBAXHNYOCD-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027625
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
N-(4-methoxyphenyl)-N-methyl-2-pyridin-4-ylacetamide
CID 110468130
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide
CID 78837535
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
(3E)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]-N-methyl-N-phenylbutanamide
CID 5371052

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide (CID 107027641) is N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide is COc1ccc(N(C)C(=O)Cc2ccc(S)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is AWXQMBAXHNYOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-17(13-5-7-14(19-2)8-6-13)16(18)11-12-3-9-15(20)10-4-12/h3-10,20H,11H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107027641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).