N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H26N2O2S2 — CID 32559552

IUPACN-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H26N2O2S2/c25-21(16-11-13-24(14-12-16)22(26)20-10-5-15-27-20)23-18-8-3-4-9-19(18)28-17-6-1-2-7-17/h3-5,8-10,15-17H,1-2,6-7,11-14H2,(H,23,25)
InChIKeyNFIDYMXMVQQZJU-UHFFFAOYSA-N
MW414.60 g/mol
LogP5.27
Rot. Bonds5

About N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 32559552) has the molecular formula C22H26N2O2S2 and a molecular weight of 414.60 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID32559552
Molecular FormulaC22H26N2O2S2
Molecular Weight414.60 g/mol
Exact Mass414.14
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H26N2O2S2/c25-21(16-11-13-24(14-12-16)22(26)20-10-5-15-27-20)23-18-8-3-4-9-19(18)28-17-6-1-2-7-17/h3-5,8-10,15-17H,1-2,6-7,11-14H2,(H,23,25)
InChIKeyNFIDYMXMVQQZJU-UHFFFAOYSA-N
XLogP5.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-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

1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 32559647
N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 32559066
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820339
N-[2-(tert-butylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224213
N-[2-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55985354
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075791
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39820921
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27260860

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 32559552) is N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is NFIDYMXMVQQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S2/c25-21(16-11-13-24(14-12-16)22(26)20-10-5-15-27-20)23-18-8-3-4-9-19(18)28-17-6-1-2-7-17/h3-5,8-10,15-17H,1-2,6-7,11-14H2,(H,23,25).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 414.60 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 32559552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).