N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide

C16H22N2O3S — CID 17353863

IUPACN-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-20-10-11-21-14-8-6-12(7-9-14)15(19)18-16(22)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H2,17,18,19,22)
InChIKeyDMPYDNKPFYTQEI-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.26
Rot. Bonds6

About N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide

N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide (PubChem CID 17353863) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
PubChem CID17353863
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1
InChIInChI=1S/C16H22N2O3S/c1-20-10-11-21-14-8-6-12(7-9-14)15(19)18-16(22)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H2,17,18,19,22)
InChIKeyDMPYDNKPFYTQEI-UHFFFAOYSA-N
XLogP2.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide 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

N-(cyclohexylcarbamothioyl)-4-(2-ethoxyethoxy)benzamide
CID 17112920
N-(cyclohexylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 4937464
methyl 4-(cyclopentylcarbamothioylcarbamoyl)benzoate
CID 17178596
N-cyclohexyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide
CID 43878562
4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
CID 17353811
N-(cyclohexylcarbamothioyl)-4-methylbenzamide
CID 923682
4-chloro-N-(cyclopentylcarbamothioyl)benzamide
CID 4922300
N-cyclohexyl-4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 28587936
N-cyclohexyl-4-propoxybenzamide
CID 4938429
2-chloro-N-cyclohexyl-5-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17188787
N-cyclohexyl-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4934066
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 17340536

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide (CID 17353863) is N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide?
The InChIKey is DMPYDNKPFYTQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-20-10-11-21-14-8-6-12(7-9-14)15(19)18-16(22)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H2,17,18,19,22).
What are the key properties of N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide?
N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide has a molecular weight of 322.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17353863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).