(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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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).