N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide

C16H17F2NO2S — CID 42961602

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
SMILESCC(NC(=O)CCc1ccsc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H17F2NO2S/c1-11(13-3-2-4-14(9-13)21-16(17)18)19-15(20)6-5-12-7-8-22-10-12/h2-4,7-11,16H,5-6H2,1H3,(H,19,20)
InChIKeyGGECUJSPRGOLGK-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.16
Rot. Bonds7

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide (PubChem CID 42961602) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
PubChem CID42961602
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
SMILESCC(NC(=O)CCc1ccsc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H17F2NO2S/c1-11(13-3-2-4-14(9-13)21-16(17)18)19-15(20)6-5-12-7-8-22-10-12/h2-4,7-11,16H,5-6H2,1H3,(H,19,20)
InChIKeyGGECUJSPRGOLGK-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473448
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51729577
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859
3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 86922906
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 38917364

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide (CID 42961602) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide is CC(NC(=O)CCc1ccsc1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is GGECUJSPRGOLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c1-11(13-3-2-4-14(9-13)21-16(17)18)19-15(20)6-5-12-7-8-22-10-12/h2-4,7-11,16H,5-6H2,1H3,(H,19,20).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 325.38 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 42961602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).