4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide

C13H18N2O5S — CID 17462586

IUPAC4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)OC)c1
InChIInChI=1S/C13H18N2O5S/c1-5-8-14-13(16)10-6-7-11(19-3)12(9-10)21(17,18)15(2)20-4/h5-7,9H,1,8H2,2-4H3,(H,14,16)
InChIKeyYITSOKBUKRLXJG-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.79
Rot. Bonds7

About 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide

4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 17462586) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID17462586
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)OC)c1
InChIInChI=1S/C13H18N2O5S/c1-5-8-14-13(16)10-6-7-11(19-3)12(9-10)21(17,18)15(2)20-4/h5-7,9H,1,8H2,2-4H3,(H,14,16)
InChIKeyYITSOKBUKRLXJG-UHFFFAOYSA-N
XLogP0.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
N-(2-ethoxyphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9192356
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 17443500
N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 17459398
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 35018344
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide (CID 17462586) is 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)OC)c1.
What is the InChIKey of 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is YITSOKBUKRLXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-5-8-14-13(16)10-6-7-11(19-3)12(9-10)21(17,18)15(2)20-4/h5-7,9H,1,8H2,2-4H3,(H,14,16).
What are the key properties of 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide?
4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 17462586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).