N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

C23H25FN2O4S — CID 55790605

IUPACN-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)c2ccccc21)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H25FN2O4S/c24-18-9-7-16(8-10-18)14-22(27)26-12-3-4-17(15-26)23(28)25-20-11-13-31(29,30)21-6-2-1-5-19(20)21/h1-2,5-10,17,20H,3-4,11-15H2,(H,25,28)
InChIKeyYUQUYZGMWVFWGI-UHFFFAOYSA-N
MW444.53 g/mol
LogP2.64
Rot. Bonds4

About N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (PubChem CID 55790605) has the molecular formula C23H25FN2O4S and a molecular weight of 444.53 g/mol. Its IUPAC name is N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
PubChem CID55790605
Molecular FormulaC23H25FN2O4S
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC NameN-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)c2ccccc21)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H25FN2O4S/c24-18-9-7-16(8-10-18)14-22(27)26-12-3-4-17(15-26)23(28)25-20-11-13-31(29,30)21-6-2-1-5-19(20)21/h1-2,5-10,17,20H,3-4,11-15H2,(H,25,28)
InChIKeyYUQUYZGMWVFWGI-UHFFFAOYSA-N
XLogP2.64
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-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-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411407
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55738740
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461778
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 47086866
(3S)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 98786828
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (CID 55790605) is N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is O=C(NC1CCS(=O)(=O)c2ccccc21)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is YUQUYZGMWVFWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S/c24-18-9-7-16(8-10-18)14-22(27)26-12-3-4-17(15-26)23(28)25-20-11-13-31(29,30)21-6-2-1-5-19(20)21/h1-2,5-10,17,20H,3-4,11-15H2,(H,25,28).
What are the key properties of N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55790605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).