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

C18H22ClN3O3S2 — CID 55755676

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)C1
InChIInChI=1S/C18H22ClN3O3S2/c1-2-10-27(24,25)22-9-3-4-14(11-22)17(23)21-18-20-16(12-26-18)13-5-7-15(19)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,20,21,23)
InChIKeyDNICQUFWZUBADN-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.85
Rot. Bonds6

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55755676) has the molecular formula C18H22ClN3O3S2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55755676
Molecular FormulaC18H22ClN3O3S2
Molecular Weight427.98 g/mol
Exact Mass427.08
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)C1
InChIInChI=1S/C18H22ClN3O3S2/c1-2-10-27(24,25)22-9-3-4-14(11-22)17(23)21-18-20-16(12-26-18)13-5-7-15(19)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,20,21,23)
InChIKeyDNICQUFWZUBADN-UHFFFAOYSA-N
XLogP3.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-chlorophenyl)-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-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55755676) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)C1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is DNICQUFWZUBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S2/c1-2-10-27(24,25)22-9-3-4-14(11-22)17(23)21-18-20-16(12-26-18)13-5-7-15(19)8-6-13/h5-8,12,14H,2-4,9-11H2,1H3,(H,20,21,23).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55755676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).