N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide

C29H32FN3OS — CID 142966947

IUPACN,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NSc2ccccc2F)cc1
InChIInChI=1S/C29H32FN3OS/c1-3-33(4-2)29(34)23-15-13-21(14-16-23)28(22-17-19-31-20-18-22)24-9-5-7-11-26(24)32-35-27-12-8-6-10-25(27)30/h5-16,31-32H,3-4,17-20H2,1-2H3
InChIKeyNVGCWNZPRAWXFF-UHFFFAOYSA-N
MW489.66 g/mol
LogP6.61
Rot. Bonds8

About N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide

N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide (PubChem CID 142966947) has the molecular formula C29H32FN3OS and a molecular weight of 489.66 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
PubChem CID142966947
Molecular FormulaC29H32FN3OS
Molecular Weight489.66 g/mol
Exact Mass489.23
IUPAC NameN,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NSc2ccccc2F)cc1
InChIInChI=1S/C29H32FN3OS/c1-3-33(4-2)29(34)23-15-13-21(14-16-23)28(22-17-19-31-20-18-22)24-9-5-7-11-26(24)32-35-27-12-8-6-10-25(27)30/h5-16,31-32H,3-4,17-20H2,1-2H3
InChIKeyNVGCWNZPRAWXFF-UHFFFAOYSA-N
XLogP6.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide 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,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 142966960
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfonylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11421066
N,N-diethyl-4-[[2-[(2-phenylacetyl)amino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11431614
4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
CID 11487995
N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958
N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 11293990
4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
CID 174490910
N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 23435917
4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
CID 23435896
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
4-[(2-acetamidophenyl)-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
CID 11306644

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide (CID 142966947) is N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NSc2ccccc2F)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide?
The InChIKey is NVGCWNZPRAWXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3OS/c1-3-33(4-2)29(34)23-15-13-21(14-16-23)28(22-17-19-31-20-18-22)24-9-5-7-11-26(24)32-35-27-12-8-6-10-25(27)30/h5-16,31-32H,3-4,17-20H2,1-2H3.
What are the key properties of N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide?
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide has a molecular weight of 489.66 g/mol, XLogP of 6.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide is sourced from PubChem (CID 142966947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).