N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide

C14H20N2O2S — CID 43175553

IUPACN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C14H20N2O2S/c1-14(2,3)8-13(17)16-10-6-4-5-7-11(10)18-9-12(15)19/h4-7H,8-9H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyVJLLOIGRHVHRGR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide

N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide (PubChem CID 43175553) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide
PubChem CID43175553
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C14H20N2O2S/c1-14(2,3)8-13(17)16-10-6-4-5-7-11(10)18-9-12(15)19/h4-7H,8-9H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyVJLLOIGRHVHRGR-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.73
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-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide
CID 43369499
1-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-propan-2-ylurea
CID 43369664
2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid
CID 103018697
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 43369535
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 43175560
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide
CID 82842535
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide (CID 43175553) is N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccccc1OCC(N)=S.
What is the InChIKey of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide?
The InChIKey is VJLLOIGRHVHRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-14(2,3)8-13(17)16-10-6-4-5-7-11(10)18-9-12(15)19/h4-7H,8-9H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide?
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide has a molecular weight of 280.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 43175553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).