N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide

C13H19NOS2 — CID 75452413

IUPACN-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide
SMILESCNC(=O)CSCc1ccc(SC(C)C)cc1
InChIInChI=1S/C13H19NOS2/c1-10(2)17-12-6-4-11(5-7-12)8-16-9-13(15)14-3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyHWNAOOYAONCSOT-UHFFFAOYSA-N
MW269.44 g/mol
LogP3.17
Rot. Bonds6

About N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide

N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide (PubChem CID 75452413) has the molecular formula C13H19NOS2 and a molecular weight of 269.44 g/mol. Its IUPAC name is N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide
PubChem CID75452413
Molecular FormulaC13H19NOS2
Molecular Weight269.44 g/mol
Exact Mass269.09
IUPAC NameN-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide
SMILESCNC(=O)CSCc1ccc(SC(C)C)cc1
InChIInChI=1S/C13H19NOS2/c1-10(2)17-12-6-4-11(5-7-12)8-16-9-13(15)14-3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyHWNAOOYAONCSOT-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 83518674
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
2-[(4-carbamothioylphenyl)methylsulfanyl]-N-methylacetamide
CID 82178528
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379
2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide
CID 115152034
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
2-[(4-chloro-3-fluorophenyl)methylsulfanyl]-N-methylacetamide
CID 99831895
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
[2-(methylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773184
2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide (CID 75452413) is N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide is CNC(=O)CSCc1ccc(SC(C)C)cc1.
What is the InChIKey of N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide?
The InChIKey is HWNAOOYAONCSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-10(2)17-12-6-4-11(5-7-12)8-16-9-13(15)14-3/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide?
N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide has a molecular weight of 269.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 75452413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).