N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide

C19H19N3O4S — CID 59665896

IUPACN-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide
SMILESC=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1cccnc1NC(=O)c1ccccc1
InChIInChI=1S/C19H19N3O4S/c1-3-14-12-19(14,2)18(24)22-27(25,26)15-10-7-11-20-16(15)21-17(23)13-8-5-4-6-9-13/h3-11,14H,1,12H2,2H3,(H,22,24)(H,20,21,23)/t14-,19+/m1/s1
InChIKeyIQSPCXLBAATIMX-KUHUBIRLSA-N
MW385.45 g/mol
LogP2.35
Rot. Bonds6

About N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide

N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide (PubChem CID 59665896) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide
PubChem CID59665896
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide
SMILESC=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1cccnc1NC(=O)c1ccccc1
InChIInChI=1S/C19H19N3O4S/c1-3-14-12-19(14,2)18(24)22-27(25,26)15-10-7-11-20-16(15)21-17(23)13-8-5-4-6-9-13/h3-11,14H,1,12H2,2H3,(H,22,24)(H,20,21,23)/t14-,19+/m1/s1
InChIKeyIQSPCXLBAATIMX-KUHUBIRLSA-N
XLogP2.35
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide?
The IUPAC name of N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide (CID 59665896) is N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide is C=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1cccnc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide?
The InChIKey is IQSPCXLBAATIMX-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-14-12-19(14,2)18(24)22-27(25,26)15-10-7-11-20-16(15)21-17(23)13-8-5-4-6-9-13/h3-11,14H,1,12H2,2H3,(H,22,24)(H,20,21,23)/t14-,19+/m1/s1.
What are the key properties of N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide?
N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 59665896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).