(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide

C20H19NOS2 — CID 31837807

IUPAC(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C20H19NOS2/c1-16-6-8-17(9-7-16)10-11-20(22)21(14-18-4-2-12-23-18)15-19-5-3-13-24-19/h2-13H,14-15H2,1H3/b11-10+
InChIKeySYIDLOFMGRIATA-ZHACJKMWSA-N
MW353.51 g/mol
LogP5.36
Rot. Bonds6

About (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide

(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 31837807) has the molecular formula C20H19NOS2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID31837807
Molecular FormulaC20H19NOS2
Molecular Weight353.51 g/mol
Exact Mass353.09
IUPAC Name(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C20H19NOS2/c1-16-6-8-17(9-7-16)10-11-20(22)21(14-18-4-2-12-23-18)15-19-5-3-13-24-19/h2-13H,14-15H2,1H3/b11-10+
InChIKeySYIDLOFMGRIATA-ZHACJKMWSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 163900131
N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 123311433
(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 122664040
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516260
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516247
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55373046
(E)-3-(1-phenylpyrazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31839809
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 78802720
(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134014371
(E)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51189835

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide (CID 31837807) is (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N(Cc2cccs2)Cc2cccs2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is SYIDLOFMGRIATA-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H19NOS2/c1-16-6-8-17(9-7-16)10-11-20(22)21(14-18-4-2-12-23-18)15-19-5-3-13-24-19/h2-13H,14-15H2,1H3/b11-10+.
What are the key properties of (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 353.51 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 31837807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).