N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide

C20H25FN4O4S2 — CID 55759595

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)C1
InChIInChI=1S/C20H25FN4O4S2/c1-3-9-31(28,29)25-8-4-5-14(11-25)19(27)24-20-23-18(12-30-20)16-7-6-15(10-17(16)21)22-13(2)26/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyHLQAPLFTNIXVNN-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.30
Rot. Bonds7

About N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55759595) has the molecular formula C20H25FN4O4S2 and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55759595
Molecular FormulaC20H25FN4O4S2
Molecular Weight468.58 g/mol
Exact Mass468.13
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)C1
InChIInChI=1S/C20H25FN4O4S2/c1-3-9-31(28,29)25-8-4-5-14(11-25)19(27)24-20-23-18(12-30-20)16-7-6-15(10-17(16)21)22-13(2)26/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,22,26)(H,23,24,27)
InChIKeyHLQAPLFTNIXVNN-UHFFFAOYSA-N
XLogP3.30
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55759595) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)C1.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is HLQAPLFTNIXVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4S2/c1-3-9-31(28,29)25-8-4-5-14(11-25)19(27)24-20-23-18(12-30-20)16-7-6-15(10-17(16)21)22-13(2)26/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55759595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).