N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide

C20H23N3O2S — CID 1302093

IUPACN-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O2S/c24-19(11-6-16-4-2-1-3-5-16)22-20(26)21-17-7-9-18(10-8-17)23-12-14-25-15-13-23/h1-5,7-10H,6,11-15H2,(H2,21,22,24,26)
InChIKeyFRVZPWBXFGAJHP-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.97
Rot. Bonds5

About N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide

N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide (PubChem CID 1302093) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
PubChem CID1302093
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O2S/c24-19(11-6-16-4-2-1-3-5-16)22-20(26)21-17-7-9-18(10-8-17)23-12-14-25-15-13-23/h1-5,7-10H,6,11-15H2,(H2,21,22,24,26)
InChIKeyFRVZPWBXFGAJHP-UHFFFAOYSA-N
XLogP2.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide
CID 1302092
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
CID 916922
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 17194989
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
methyl 4-(3-phenylpropanoylcarbamothioylamino)benzoate
CID 4628169
N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 155945474
3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
CID 17067068
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide
CID 4958273
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide (CID 1302093) is N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC(=S)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide?
The InChIKey is FRVZPWBXFGAJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(11-6-16-4-2-1-3-5-16)22-20(26)21-17-7-9-18(10-8-17)23-12-14-25-15-13-23/h1-5,7-10H,6,11-15H2,(H2,21,22,24,26).
What are the key properties of N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide?
N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide has a molecular weight of 369.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-phenylpropanamide is sourced from PubChem (CID 1302093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).