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

C16H22F3NOS — CID 10947590

IUPAC(Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C/c1cccs1)C(F)(F)F
InChIInChI=1S/C16H22F3NOS/c1-3-5-9-20(10-6-4-2)15(21)14(16(17,18)19)12-13-8-7-11-22-13/h7-8,11-12H,3-6,9-10H2,1-2H3/b14-12-
InChIKeyLZVXWDOSKACHCC-OWBHPGMISA-N
MW333.42 g/mol
LogP5.12
Rot. Bonds8

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

(Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide (PubChem CID 10947590) has the molecular formula C16H22F3NOS and a molecular weight of 333.42 g/mol. Its IUPAC name is (Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide
PubChem CID10947590
Molecular FormulaC16H22F3NOS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name(Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide
SMILESCCCCN(CCCC)C(=O)/C(=C/c1cccs1)C(F)(F)F
InChIInChI=1S/C16H22F3NOS/c1-3-5-9-20(10-6-4-2)15(21)14(16(17,18)19)12-13-8-7-11-22-13/h7-8,11-12H,3-6,9-10H2,1-2H3/b14-12-
InChIKeyLZVXWDOSKACHCC-OWBHPGMISA-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

1-[3-(2-Thienyl)acryloyl]piperidine
CID 896101
1-[(2e,4e,6e)-7-(2-Thienyl)-2,4,6-heptatrienoyl]piperidine
CID 11821786
(2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 73349612
(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
(2E,4E,6E)-N-Isopentyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 72696080
N-butyl-3-(2-thienyl)acrylamide
CID 1744805
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)-7-thiophen-2-ylhepta-2,4,6-trien-1-one
CID 73346583
(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
CID 2313985
(2E,4E)-1-piperidin-1-yl-5-thiophen-2-ylpenta-2,4-dien-1-one
CID 138971052
1-[3-(2-Thienyl)acryloyl]azepane
CID 903202
(E)-N-cyclohexyl-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 2326325
(2E)-N,N-di(butan-2-yl)-3-(thiophen-2-yl)prop-2-enamide
CID 5736861

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of (Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide (CID 10947590) is (Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for (Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for (Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide is CCCCN(CCCC)C(=O)/C(=C/c1cccs1)C(F)(F)F.
What is the InChIKey of (Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is LZVXWDOSKACHCC-OWBHPGMISA-N. The full InChI is InChI=1S/C16H22F3NOS/c1-3-5-9-20(10-6-4-2)15(21)14(16(17,18)19)12-13-8-7-11-22-13/h7-8,11-12H,3-6,9-10H2,1-2H3/b14-12-.
What are the key properties of (Z)-N,N-dibutyl-3-thiophen-2-yl-2-(trifluoromethyl)prop-2-enamide?
(Z)-N,N-dibutyl-3-thiophen-2-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-2-yl-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 10947590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).