2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide

C23H26FN3O3S — CID 60549670

IUPAC2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
SMILESCN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CC2c2ccccc2F)c1
InChIInChI=1S/C23H26FN3O3S/c1-27-13-6-2-3-12-22(27)26-31(29,30)17-9-7-8-16(14-17)25-23(28)20-15-19(20)18-10-4-5-11-21(18)24/h4-5,7-11,14,19-20H,2-3,6,12-13,15H2,1H3,(H,25,28)/b26-22+
InChIKeyYQCMLFRQKAFSBC-XTCLZLMSSA-N
MW443.54 g/mol
LogP4.16
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide (PubChem CID 60549670) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
PubChem CID60549670
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
SMILESCN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CC2c2ccccc2F)c1
InChIInChI=1S/C23H26FN3O3S/c1-27-13-6-2-3-12-22(27)26-31(29,30)17-9-7-8-16(14-17)25-23(28)20-15-19(20)18-10-4-5-11-21(18)24/h4-5,7-11,14,19-20H,2-3,6,12-13,15H2,1H3,(H,25,28)/b26-22+
InChIKeyYQCMLFRQKAFSBC-XTCLZLMSSA-N
XLogP4.16
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 91939033
tert-butyl (2R)-2-[[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51960282
3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60549464
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]thiadiazole-5-carboxamide
CID 55920328
5-fluoro-N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-1H-indole-2-carboxamide
CID 76868188
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60549512
2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 86955889
4-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-2-carboxamide
CID 55810712
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55992179
2-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
CID 60549421

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide (CID 60549670) is 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide is CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CC2c2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide?
The InChIKey is YQCMLFRQKAFSBC-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-27-13-6-2-3-12-22(27)26-31(29,30)17-9-7-8-16(14-17)25-23(28)20-15-19(20)18-10-4-5-11-21(18)24/h4-5,7-11,14,19-20H,2-3,6,12-13,15H2,1H3,(H,25,28)/b26-22+.
What are the key properties of 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 60549670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).