N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide

C17H20N2OS — CID 8752896

IUPACN-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-4-10-16(11-5-13)21-12-17(20)18-14-6-8-15(9-7-14)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyBJKDCWSPUPBDIB-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.79
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide

N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 8752896) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID8752896
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-4-10-16(11-5-13)21-12-17(20)18-14-6-8-15(9-7-14)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyBJKDCWSPUPBDIB-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide
CID 30860081
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
N-[4-(dimethylamino)phenyl]-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440475
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide (CID 8752896) is N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is BJKDCWSPUPBDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-4-10-16(11-5-13)21-12-17(20)18-14-6-8-15(9-7-14)19(2)3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 8752896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).