N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide

C14H22N2O3S2 — CID 21391833

IUPACN-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
SMILESCCS(=O)(=O)c1ncc(C(=O)NCCCC2CCCC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-2-21(18,19)14-16-10-12(20-14)13(17)15-9-5-8-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,15,17)
InChIKeyDGYQJRHXVMUELO-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.64
Rot. Bonds7

About N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide

N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide (PubChem CID 21391833) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
PubChem CID21391833
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide
SMILESCCS(=O)(=O)c1ncc(C(=O)NCCCC2CCCC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-2-21(18,19)14-16-10-12(20-14)13(17)15-9-5-8-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,15,17)
InChIKeyDGYQJRHXVMUELO-UHFFFAOYSA-N
XLogP2.64
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-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-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide (CID 21391833) is N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide is CCS(=O)(=O)c1ncc(C(=O)NCCCC2CCCC2)s1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
The InChIKey is DGYQJRHXVMUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-2-21(18,19)14-16-10-12(20-14)13(17)15-9-5-8-11-6-3-4-7-11/h10-11H,2-9H2,1H3,(H,15,17).
What are the key properties of N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide?
N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-ethylsulfonyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 21391833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).