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

C13H18N2O2S — CID 62666127

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(C)C(N)=S)c1
InChIInChI=1S/C13H18N2O2S/c1-9(13(14)18)8-15-12(16)7-10-4-3-5-11(6-10)17-2/h3-6,9H,7-8H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyCRWZNMVQSBAEKI-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.28
Rot. Bonds6

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

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 62666127) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide
PubChem CID62666127
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(C)C(N)=S)c1
InChIInChI=1S/C13H18N2O2S/c1-9(13(14)18)8-15-12(16)7-10-4-3-5-11(6-10)17-2/h3-6,9H,7-8H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyCRWZNMVQSBAEKI-UHFFFAOYSA-N
XLogP1.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
CID 62668200
N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 66090213
N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 113273646
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 106116064
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
N-(2-amino-2-ethylbutyl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119639628
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide (CID 62666127) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC(C)C(N)=S)c1.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is CRWZNMVQSBAEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(13(14)18)8-15-12(16)7-10-4-3-5-11(6-10)17-2/h3-6,9H,7-8H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 62666127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).