N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide

C26H31N3O3S2 — CID 46390108

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C26H31N3O3S2/c1-2-6-20-9-11-24(12-10-20)34(31,32)29-17-14-21(15-18-29)25(30)27-16-13-23-19-33-26(28-23)22-7-4-3-5-8-22/h3-5,7-12,19,21H,2,6,13-18H2,1H3,(H,27,30)
InChIKeyVPZQZVVVMRAXGA-UHFFFAOYSA-N
MW497.69 g/mol
LogP4.52
Rot. Bonds9

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46390108) has the molecular formula C26H31N3O3S2 and a molecular weight of 497.69 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46390108
Molecular FormulaC26H31N3O3S2
Molecular Weight497.69 g/mol
Exact Mass497.18
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C26H31N3O3S2/c1-2-6-20-9-11-24(12-10-20)34(31,32)29-17-14-21(15-18-29)25(30)27-16-13-23-19-33-26(28-23)22-7-4-3-5-8-22/h3-5,7-12,19,21H,2,6,13-18H2,1H3,(H,27,30)
InChIKeyVPZQZVVVMRAXGA-UHFFFAOYSA-N
XLogP4.52
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.69
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390118
1-(benzenesulfonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554371
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
1-(4-ethoxyphenyl)sulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554424
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992137
N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992136
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
(1S,6S)-6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 7119142

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide (CID 46390108) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide is CCCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3csc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is VPZQZVVVMRAXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S2/c1-2-6-20-9-11-24(12-10-20)34(31,32)29-17-14-21(15-18-29)25(30)27-16-13-23-19-33-26(28-23)22-7-4-3-5-8-22/h3-5,7-12,19,21H,2,6,13-18H2,1H3,(H,27,30).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 497.69 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46390108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).