3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide

C13H20N2O2S — CID 113472635

IUPAC3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NC(C)CSC
InChIInChI=1S/C13H20N2O2S/c1-4-17-12-10(6-5-7-11(12)14)13(16)15-9(2)8-18-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyHWUUMNLNCVLISB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.15
Rot. Bonds6

About 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide

3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 113472635) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID113472635
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NC(C)CSC
InChIInChI=1S/C13H20N2O2S/c1-4-17-12-10(6-5-7-11(12)14)13(16)15-9(2)8-18-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyHWUUMNLNCVLISB-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.15
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

3-amino-2-ethoxy-N-pent-4-yn-2-ylbenzamide
CID 113476869
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347855
3-amino-2-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151929
(1-amino-1-oxopropan-2-yl) 3-amino-2-ethoxybenzoate
CID 113386665
3-amino-2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 113498897
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
3-amino-N-methyl-2-(2-methylpropoxy)benzamide
CID 154814953
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 113472635) is 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide is CCOc1c(N)cccc1C(=O)NC(C)CSC.
What is the InChIKey of 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is HWUUMNLNCVLISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-17-12-10(6-5-7-11(12)14)13(16)15-9(2)8-18-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide?
3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 268.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 113472635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).