N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide

C16H17NO2S — CID 107027625

IUPACN-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCOc1cccc(N(C)C(=O)Cc2ccc(S)cc2)c1
InChIInChI=1S/C16H17NO2S/c1-17(13-4-3-5-14(11-13)19-2)16(18)10-12-6-8-15(20)9-7-12/h3-9,11,20H,10H2,1-2H3
InChIKeyMYGYRQNLBDMUDA-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.19
Rot. Bonds4

About N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide

N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107027625) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107027625
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCOc1cccc(N(C)C(=O)Cc2ccc(S)cc2)c1
InChIInChI=1S/C16H17NO2S/c1-17(13-4-3-5-14(11-13)19-2)16(18)10-12-6-8-15(20)9-7-12/h3-9,11,20H,10H2,1-2H3
InChIKeyMYGYRQNLBDMUDA-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

2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100788351
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
2-diethoxyphosphoryl-N-(3-methoxyphenyl)-N-methylacetamide
CID 101352571
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide (CID 107027625) is N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide is COc1cccc(N(C)C(=O)Cc2ccc(S)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is MYGYRQNLBDMUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-17(13-4-3-5-14(11-13)19-2)16(18)10-12-6-8-15(20)9-7-12/h3-9,11,20H,10H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
N-(3-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-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107027625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).