N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide

C16H18N2OS2 — CID 122144252

IUPACN-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCSc1ccccc1CN(C)C(=O)CSc1ccncc1
InChIInChI=1S/C16H18N2OS2/c1-18(11-13-5-3-4-6-15(13)20-2)16(19)12-21-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyDYTFXRTUDIGLFC-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.55
Rot. Bonds6

About N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide

N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 122144252) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID122144252
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC NameN-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCSc1ccccc1CN(C)C(=O)CSc1ccncc1
InChIInChI=1S/C16H18N2OS2/c1-18(11-13-5-3-4-6-15(13)20-2)16(19)12-21-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyDYTFXRTUDIGLFC-UHFFFAOYSA-N
XLogP3.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 51073326
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
2-(4-tert-butylphenyl)sulfanyl-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60518633
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 135907474
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 91766152
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
CID 7965506
N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
CID 7535734
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51099203
N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 122144255
(3R)-3-amino-4-(2-fluorophenyl)-N-methyl-N-[(2-methylsulfanylphenyl)methyl]butanamide
CID 11695925

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide (CID 122144252) is N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide is CSc1ccccc1CN(C)C(=O)CSc1ccncc1.
What is the InChIKey of N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is DYTFXRTUDIGLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-18(11-13-5-3-4-6-15(13)20-2)16(19)12-21-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide?
N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 318.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 122144252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).