N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C15H18F2N2O3S — CID 18116822

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2N2O3S/c16-14(17)22-12-3-1-11(2-4-12)5-7-18-13(20)6-8-19-9-10-23-15(19)21/h1-4,14H,5-10H2,(H,18,20)
InChIKeyWMSWOFVLGSKOKL-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 18116822) has the molecular formula C15H18F2N2O3S and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID18116822
Molecular FormulaC15H18F2N2O3S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1CCSC1=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2N2O3S/c16-14(17)22-12-3-1-11(2-4-12)5-7-18-13(20)6-8-19-9-10-23-15(19)21/h1-4,14H,5-10H2,(H,18,20)
InChIKeyWMSWOFVLGSKOKL-UHFFFAOYSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 55442754
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107232666
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
ethyl N-[3-[2-[4-(difluoromethoxy)phenyl]ethylamino]-3-oxopropyl]carbamate
CID 46446447
4-(4-bromophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
CID 27884457
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55388771
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]butanamide
CID 55385257
2-(2-aminoethoxy)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 79473444
2-amino-N-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 61258827

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 18116822) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1CCSC1=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is WMSWOFVLGSKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3S/c16-14(17)22-12-3-1-11(2-4-12)5-7-18-13(20)6-8-19-9-10-23-15(19)21/h1-4,14H,5-10H2,(H,18,20).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 18116822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).