3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide

C12H16N2O4S — CID 19996610

IUPAC3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide
SMILESC=CS(=O)(=O)C(C)NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H16N2O4S/c1-4-19(16,17)8(2)14-12(15)9-5-6-11(18-3)10(13)7-9/h4-8H,1,13H2,2-3H3,(H,14,15)
InChIKeyXZLCPIMGYQLGJG-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.91
Rot. Bonds5

About 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide

3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide (PubChem CID 19996610) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide
PubChem CID19996610
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide
SMILESC=CS(=O)(=O)C(C)NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C12H16N2O4S/c1-4-19(16,17)8(2)14-12(15)9-5-6-11(18-3)10(13)7-9/h4-8H,1,13H2,2-3H3,(H,14,15)
InChIKeyXZLCPIMGYQLGJG-UHFFFAOYSA-N
XLogP0.91
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methoxybenzamide
CID 143870185
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
4-[(3-amino-4-methoxybenzoyl)amino]benzenesulfonic acid
CID 21406545
3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 39423304
3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide (CID 19996610) is 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide is C=CS(=O)(=O)C(C)NC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide?
The InChIKey is XZLCPIMGYQLGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-4-19(16,17)8(2)14-12(15)9-5-6-11(18-3)10(13)7-9/h4-8H,1,13H2,2-3H3,(H,14,15).
What are the key properties of 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide?
3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide has a molecular weight of 284.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethenylsulfonylethyl)-4-methoxybenzamide is sourced from PubChem (CID 19996610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).