N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C24H32N2O3S — CID 54782394

IUPACN-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCOCCOc1ccccc1NC(=S)NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C24H32N2O3S/c1-5-28-14-15-29-22-9-7-6-8-21(22)25-24(30)26-23(27)18(4)20-12-10-19(11-13-20)16-17(2)3/h6-13,17-18H,5,14-16H2,1-4H3,(H2,25,26,27,30)
InChIKeyKVYVUYCEXBAAMV-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.92
Rot. Bonds10

About N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54782394) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54782394
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCOCCOc1ccccc1NC(=S)NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C24H32N2O3S/c1-5-28-14-15-29-22-9-7-6-8-21(22)25-24(30)26-23(27)18(4)20-12-10-19(11-13-20)16-17(2)3/h6-13,17-18H,5,14-16H2,1-4H3,(H2,25,26,27,30)
InChIKeyKVYVUYCEXBAAMV-UHFFFAOYSA-N
XLogP4.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.92
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-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]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

2-[4-(2-methylpropyl)phenyl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 54781980
N-[(2-butoxyphenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123102
N-[(2-ethyl-6-methylphenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782467
2-(2-ethoxyethoxy)-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17123104
2-[4-(2-methylpropyl)phenyl]-N-[[3-(propanoylamino)phenyl]carbamothioyl]propanamide
CID 54782396
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
N'-(3-ethoxypropanoyl)-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782231
N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782363
N-[2-(2-ethoxyethoxy)phenyl]-2-phenylacetamide
CID 17134061
N-(2-methoxyphenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide
CID 127035008
N-[(4-methoxyphenyl)methylcarbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782759
N-[(2-ethoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944555

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54782394) is N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CCOCCOc1ccccc1NC(=S)NC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is KVYVUYCEXBAAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-5-28-14-15-29-22-9-7-6-8-21(22)25-24(30)26-23(27)18(4)20-12-10-19(11-13-20)16-17(2)3/h6-13,17-18H,5,14-16H2,1-4H3,(H2,25,26,27,30).
What are the key properties of N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 428.60 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)phenyl]carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54782394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).