N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C19H23N3O3S — CID 91939033

IUPACN-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C2CC3C=CC2C3)c1
InChIInChI=1S/C19H23N3O3S/c1-22-9-3-6-18(22)21-26(24,25)16-5-2-4-15(12-16)20-19(23)17-11-13-7-8-14(17)10-13/h2,4-5,7-8,12-14,17H,3,6,9-11H2,1H3,(H,20,23)
InChIKeyJLPCEIGXKIQVGX-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.65
Rot. Bonds4

About N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 91939033) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID91939033
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C2CC3C=CC2C3)c1
InChIInChI=1S/C19H23N3O3S/c1-22-9-3-6-18(22)21-26(24,25)16-5-2-4-15(12-16)20-19(23)17-11-13-7-8-14(17)10-13/h2,4-5,7-8,12-14,17H,3,6,9-11H2,1H3,(H,20,23)
InChIKeyJLPCEIGXKIQVGX-UHFFFAOYSA-N
XLogP2.65
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60635841
2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
CID 60549670
cis-(1S,2R)-2-methyl-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
CID 52531851
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-methylsulfonylbenzamide
CID 51957722
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-propan-2-ylbenzamide
CID 55881637
2-[[3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]sulfonylamino]acetic acid
CID 136554253
tert-butyl (2R)-2-[[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51960282
2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide
CID 60557496
4-(cyclopropylcarbamoylamino)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 55880367
4-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1,3-thiazole-5-carboxamide
CID 60530494
3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60549464

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 91939033) is N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C2CC3C=CC2C3)c1.
What is the InChIKey of N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is JLPCEIGXKIQVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-22-9-3-6-18(22)21-26(24,25)16-5-2-4-15(12-16)20-19(23)17-11-13-7-8-14(17)10-13/h2,4-5,7-8,12-14,17H,3,6,9-11H2,1H3,(H,20,23).
What are the key properties of N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 91939033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).