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

C17H19NO2S — CID 107024320

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2ccc(S)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-18(12-14-3-7-15(20-2)8-4-14)17(19)11-13-5-9-16(21)10-6-13/h3-10,21H,11-12H2,1-2H3
InChIKeyMFULCCCUIQGTME-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.18
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107024320) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107024320
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2ccc(S)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-18(12-14-3-7-15(20-2)8-4-14)17(19)11-13-5-9-16(21)10-6-13/h3-10,21H,11-12H2,1-2H3
InChIKeyMFULCCCUIQGTME-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.18
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-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027641
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
2-(4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110715683
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024323
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107025972

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide (CID 107024320) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide is COc1ccc(CN(C)C(=O)Cc2ccc(S)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is MFULCCCUIQGTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18(12-14-3-7-15(20-2)8-4-14)17(19)11-13-5-9-16(21)10-6-13/h3-10,21H,11-12H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107024320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).