2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide

C17H19NO2S2 — CID 848414

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(CSCC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C17H19NO2S2/c1-20-14-9-7-13(8-10-14)11-22-12-17(19)18-15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyFRAJQPFWPDNJDV-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.29
Rot. Bonds7

About 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide

2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 848414) has the molecular formula C17H19NO2S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID848414
Molecular FormulaC17H19NO2S2
Molecular Weight333.48 g/mol
Exact Mass333.09
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(CSCC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C17H19NO2S2/c1-20-14-9-7-13(8-10-14)11-22-12-17(19)18-15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyFRAJQPFWPDNJDV-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide 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

3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, (2S,3S)-
CID 2733673
N-[4-(3-Methoxy-phenylsulfanyl)-phenyl]-butyramide
CID 15453821
2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 578565
N-(2-methoxy-5-methylphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 880073
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
3-[(4-methoxybenzyl)sulfanyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
CID 1490963
2-(benzylthio)-N-(4-methoxyphenyl)propanamide
CID 2889957
2-(benzylthio)-N-(3-methoxyphenyl)propanamide
CID 2890397
N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 5072004
4-{[2-(Benzylthio)acetyl]amino}phenyl propionate
CID 891549
N-(4-Methoxy-phenyl)-2-p-tolylsulfanyl-acetamide
CID 788761
N-(4-methoxyphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 875841

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide (CID 848414) is 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide is COc1ccc(CSCC(=O)Nc2ccccc2SC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is FRAJQPFWPDNJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S2/c1-20-14-9-7-13(8-10-14)11-22-12-17(19)18-15-5-3-4-6-16(15)21-2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 848414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).