N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide

C14H20N2O2S — CID 54992117

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)CC(C)C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-10(14(15)19)9-16(2)13(17)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,19)
InChIKeyFYATYKAQQVMCNQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.62
Rot. Bonds6

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 54992117) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide
PubChem CID54992117
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)CC(C)C(N)=S
InChIInChI=1S/C14H20N2O2S/c1-10(14(15)19)9-16(2)13(17)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,19)
InChIKeyFYATYKAQQVMCNQ-UHFFFAOYSA-N
XLogP1.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
2-methyl-3-[methyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119228442
2-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9475937
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 62388710
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methoxy-N,4-dimethylbenzamide
CID 54991962
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 54988516
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807
3-[[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]-methylamino]-2-methylpropanoic acid
CID 119228891
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide (CID 54992117) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide is COc1ccccc1CC(=O)N(C)CC(C)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is FYATYKAQQVMCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(14(15)19)9-16(2)13(17)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9H2,1-3H3,(H2,15,19).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 54992117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).