2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide

C14H22N2O2S — CID 79830616

IUPAC2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide
SMILESCOc1cc(N)ccc1SCC(=O)NCCC(C)C
InChIInChI=1S/C14H22N2O2S/c1-10(2)6-7-16-14(17)9-19-13-5-4-11(15)8-12(13)18-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyIYPFRZFODMBYMZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide

2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide (PubChem CID 79830616) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide
PubChem CID79830616
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide
SMILESCOc1cc(N)ccc1SCC(=O)NCCC(C)C
InChIInChI=1S/C14H22N2O2S/c1-10(2)6-7-16-14(17)9-19-13-5-4-11(15)8-12(13)18-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyIYPFRZFODMBYMZ-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
CID 79829901
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 43303642
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 79827123
3-methoxy-4-(2-methylidenebutylsulfanyl)aniline
CID 79830261
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 82840597
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 43303746
2-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79141614
3-(4-amino-2-methoxyphenyl)sulfanylpropane-1,2-diol
CID 82849724

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide (CID 79830616) is 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide is COc1cc(N)ccc1SCC(=O)NCCC(C)C.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide?
The InChIKey is IYPFRZFODMBYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)6-7-16-14(17)9-19-13-5-4-11(15)8-12(13)18-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide?
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 79830616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).