N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide

C24H24N2O3S — CID 4958273

IUPACN-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c27-23(16-11-19-7-3-1-4-8-19)26-24(30)25-20-12-14-22(15-13-20)29-18-17-28-21-9-5-2-6-10-21/h1-10,12-15H,11,16-18H2,(H2,25,26,27,30)
InChIKeyZUTBSWCYMWDXFM-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.59
Rot. Bonds9

About N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide

N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide (PubChem CID 4958273) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide
PubChem CID4958273
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c27-23(16-11-19-7-3-1-4-8-19)26-24(30)25-20-12-14-22(15-13-20)29-18-17-28-21-9-5-2-6-10-21/h1-10,12-15H,11,16-18H2,(H2,25,26,27,30)
InChIKeyZUTBSWCYMWDXFM-UHFFFAOYSA-N
XLogP4.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.59
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'}

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Related Compounds

3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
CID 17067068
methyl 4-oxo-4-[[4-(2-phenylethoxy)phenyl]carbamothioylamino]butanoate
CID 17067112
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
methyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate
CID 17130313
2-methoxyethyl 4-oxo-4-[[4-(2-phenylethoxy)phenyl]carbamothioylamino]butanoate
CID 17067153
3-(2-chlorophenyl)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]propanamide
CID 17179432
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]octanamide
CID 17130350
N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
CID 916922
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 4628169
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-[[4-(dimethylamino)phenyl]carbamothioyl]-4-phenoxybutanamide
CID 19188429

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide?
The IUPAC name of N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide (CID 4958273) is N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide?
The canonical SMILES for N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC(=S)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide?
The InChIKey is ZUTBSWCYMWDXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-23(16-11-19-7-3-1-4-8-19)26-24(30)25-20-12-14-22(15-13-20)29-18-17-28-21-9-5-2-6-10-21/h1-10,12-15H,11,16-18H2,(H2,25,26,27,30).
What are the key properties of N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide?
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide has a molecular weight of 420.53 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide is sourced from PubChem (CID 4958273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).