(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide

C13H18N2O4S — CID 60549995

IUPAC(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C13H18N2O4S/c1-4-5-9(2)13(16)15-11-8-10(20(14,17)18)6-7-12(11)19-3/h5-8H,4H2,1-3H3,(H,15,16)(H2,14,17,18)/b9-5-
InChIKeyIMVFGGUCOITPDR-UITAMQMPSA-N
MW298.36 g/mol
LogP1.64
Rot. Bonds5

About (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide

(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide (PubChem CID 60549995) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide
PubChem CID60549995
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C13H18N2O4S/c1-4-5-9(2)13(16)15-11-8-10(20(14,17)18)6-7-12(11)19-3/h5-8H,4H2,1-3H3,(H,15,16)(H2,14,17,18)/b9-5-
InChIKeyIMVFGGUCOITPDR-UITAMQMPSA-N
XLogP1.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-methoxy-5-sulfamoylphenyl)-1-methylurea
CID 79162786
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-(2-methoxy-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842548
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
2-[2-(2-methoxy-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 115575110
2-(2-aminoethoxy)-N-(2-methoxy-5-sulfamoylphenyl)acetamide
CID 79473829
N-(2-methoxy-5-sulfamoylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697481
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
N-(2-methoxy-5-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742519

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide (CID 60549995) is (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide?
The InChIKey is IMVFGGUCOITPDR-UITAMQMPSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-5-9(2)13(16)15-11-8-10(20(14,17)18)6-7-12(11)19-3/h5-8H,4H2,1-3H3,(H,15,16)(H2,14,17,18)/b9-5-.
What are the key properties of (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide?
(Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide has a molecular weight of 298.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxy-5-sulfamoylphenyl)-2-methylpent-2-enamide is sourced from PubChem (CID 60549995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).