N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide

C13H18F3NOS — CID 78877777

IUPACN-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCc1ccsc1
InChIInChI=1S/C13H18F3NOS/c1-10(2)7-17(9-13(14,15)16)12(18)4-3-11-5-6-19-8-11/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyPNEYTODPNPQUPV-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.73
Rot. Bonds6

About N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78877777) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78877777
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC NameN-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCc1ccsc1
InChIInChI=1S/C13H18F3NOS/c1-10(2)7-17(9-13(14,15)16)12(18)4-3-11-5-6-19-8-11/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyPNEYTODPNPQUPV-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Thiophen-3-ylpropanoyl)piperidine-4-carboxamide
CID 9117696
1-Pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
CID 155562244
N,N-dimethyl-2-(thiophen-3-yl)acetamide
CID 23273495
1-Piperidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 39958563
(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-3-ylpropanamide
CID 134959545
Cyclohex-3-en-1-yl(4-(thiophen-3-yl)piperidin-1-yl)methanone
CID 71787158
1-(4-Methyl-1,4-diazepan-1-yl)-3-thiophen-3-ylpropan-1-one
CID 39952100
1-(Azocan-1-yl)-3-thiophen-3-ylpropan-1-one
CID 39952105
1-(4-Methylpiperazin-1-yl)-3-thiophen-3-ylpropan-1-one
CID 39958575
3-Thiophen-3-yl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 45798471
1-(3,5-Dimethylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-one
CID 45843069
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-thiophen-3-ylpropanamide
CID 71983514

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 78877777) is N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)CCc1ccsc1.
What is the InChIKey of N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PNEYTODPNPQUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-10(2)7-17(9-13(14,15)16)12(18)4-3-11-5-6-19-8-11/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 293.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78877777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).