2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H23NOS2 — CID 31548705

IUPAC2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCSc1ccc(CSCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C20H23NOS2/c1-23-17-11-9-15(10-12-17)13-24-14-20(22)21-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyMQBXAZKKXAWDBV-LJQANCHMSA-N
MW357.54 g/mol
LogP4.84
Rot. Bonds6

About 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 31548705) has the molecular formula C20H23NOS2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID31548705
Molecular FormulaC20H23NOS2
Molecular Weight357.54 g/mol
Exact Mass357.12
IUPAC Name2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCSc1ccc(CSCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C20H23NOS2/c1-23-17-11-9-15(10-12-17)13-24-14-20(22)21-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyMQBXAZKKXAWDBV-LJQANCHMSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]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

1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580789
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30389296
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362094
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362095
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46419630
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
4-[(4-methylphenyl)sulfanylmethyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 94012649
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7973944
2-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40943120

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 31548705) is 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CSc1ccc(CSCC(=O)N[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is MQBXAZKKXAWDBV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NOS2/c1-23-17-11-9-15(10-12-17)13-24-14-20(22)21-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9-12,19H,4,6,8,13-14H2,1H3,(H,21,22)/t19-/m1/s1.
What are the key properties of 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 357.54 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 31548705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).