3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide

C22H31N3O2S — CID 3230656

IUPAC3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(-c2nnc(N(CC(C)C)C(=O)CCC3CCCC3)s2)cc1
InChIInChI=1S/C22H31N3O2S/c1-4-27-19-12-10-18(11-13-19)21-23-24-22(28-21)25(15-16(2)3)20(26)14-9-17-7-5-6-8-17/h10-13,16-17H,4-9,14-15H2,1-3H3
InChIKeyIKUWCPHZUIPVMB-UHFFFAOYSA-N
MW401.58 g/mol
LogP5.56
Rot. Bonds9

About 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide

3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 3230656) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide
PubChem CID3230656
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide
SMILESCCOc1ccc(-c2nnc(N(CC(C)C)C(=O)CCC3CCCC3)s2)cc1
InChIInChI=1S/C22H31N3O2S/c1-4-27-19-12-10-18(11-13-19)21-23-24-22(28-21)25(15-16(2)3)20(26)14-9-17-7-5-6-8-17/h10-13,16-17H,4-9,14-15H2,1-3H3
InChIKeyIKUWCPHZUIPVMB-UHFFFAOYSA-N
XLogP5.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.58
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide 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

3-cyclopentyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropanamide
CID 1444824
3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 3212623
N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 3498004
2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide
CID 3748819
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-N-(2-methylpropyl)propanamide
CID 1451637
N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1451737
N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide
CID 3230670
2-(4-chlorophenoxy)-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3230676
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 1451556
3,3-dimethyl-N-(2-methylpropyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 3767768
N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 3230667
2-(4-ethoxyphenyl)-5-[3-(2-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole
CID 57018319

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide (CID 3230656) is 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide is CCOc1ccc(-c2nnc(N(CC(C)C)C(=O)CCC3CCCC3)s2)cc1.
What is the InChIKey of 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is IKUWCPHZUIPVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-4-27-19-12-10-18(11-13-19)21-23-24-22(28-21)25(15-16(2)3)20(26)14-9-17-7-5-6-8-17/h10-13,16-17H,4-9,14-15H2,1-3H3.
What are the key properties of 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide?
3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 401.58 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 3230656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).