(Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide

C16H22F3NOS — CID 23236966

IUPAC(Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C/c1ccsc1)C(F)(F)F
InChIInChI=1S/C16H22F3NOS/c1-3-5-8-20(9-6-4-2)15(21)14(16(17,18)19)11-13-7-10-22-12-13/h7,10-12H,3-6,8-9H2,1-2H3/b14-11-
InChIKeyRRFICSYPKUHPMR-KAMYIIQDSA-N
MW333.42 g/mol
LogP5.12
Rot. Bonds8

About (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide

(Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide (PubChem CID 23236966) has the molecular formula C16H22F3NOS and a molecular weight of 333.42 g/mol. Its IUPAC name is (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide
PubChem CID23236966
Molecular FormulaC16H22F3NOS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name(Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C/c1ccsc1)C(F)(F)F
InChIInChI=1S/C16H22F3NOS/c1-3-5-8-20(9-6-4-2)15(21)14(16(17,18)19)11-13-7-10-22-12-13/h7,10-12H,3-6,8-9H2,1-2H3/b14-11-
InChIKeyRRFICSYPKUHPMR-KAMYIIQDSA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-1-piperidin-1-yl-5-thiophen-3-ylpenta-2,4-dien-1-one
CID 147938711
(Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide
CID 10947590
(E)-3-(thiophen-3-yl)-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)acrylamide
CID 49755715
3,3,3-trifluoro-1-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 53552169
3-(5-bromothiophen-3-yl)-N-(2,2-difluoroethyl)-N-methylprop-2-enamide
CID 72012201
3,3,3-Trifluoro-1-[4-(3-thiophen-3-ylprop-2-enoyl)piperazin-1-yl]propan-1-one
CID 72150882
(E)-3-(5-bromothiophen-3-yl)-N-(2,2-difluoroethyl)-N-methylprop-2-enamide
CID 75407478
(E)-N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78866369
(E)-N-(2-methylpropyl)-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78877735
3,3,3-trifluoro-1-[4-[(Z)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 97462394
(Z)-3-(5-bromothiophen-3-yl)-N-(2,2-difluoroethyl)-N-methylprop-2-enamide
CID 97560196
(E)-N-(2-cyanopropyl)-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 51096900

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide (CID 23236966) is (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide is CCCCN(CCCC)C(=O)/C(=C/c1ccsc1)C(F)(F)F.
What is the InChIKey of (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is RRFICSYPKUHPMR-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H22F3NOS/c1-3-5-8-20(9-6-4-2)15(21)14(16(17,18)19)11-13-7-10-22-12-13/h7,10-12H,3-6,8-9H2,1-2H3/b14-11-.
What are the key properties of (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide?
(Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 333.42 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibutyl-3-thiophen-3-yl-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 23236966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).