(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C19H17NOS2 — CID 38739907

IUPAC(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCN(Cc1cccs1)C(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H17NOS2/c1-20(14-17-8-5-13-22-17)19(21)12-10-16-9-11-18(23-16)15-6-3-2-4-7-15/h2-13H,14H2,1H3/b12-10+
InChIKeySARPYYIWKFTBAE-ZRDIBKRKSA-N
MW339.49 g/mol
LogP5.15
Rot. Bonds5

About (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 38739907) has the molecular formula C19H17NOS2 and a molecular weight of 339.49 g/mol. Its IUPAC name is (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID38739907
Molecular FormulaC19H17NOS2
Molecular Weight339.49 g/mol
Exact Mass339.08
IUPAC Name(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCN(Cc1cccs1)C(=O)/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H17NOS2/c1-20(14-17-8-5-13-22-17)19(21)12-10-16-9-11-18(23-16)15-6-3-2-4-7-15/h2-13H,14H2,1H3/b12-10+
InChIKeySARPYYIWKFTBAE-ZRDIBKRKSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.49
LogP ≤ 55.15
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)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 26444182
(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 51123745
(E)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 47116505
methyl 3-[[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate
CID 134033604
(E)-3-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 38737797
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
3-[5-(4-methylphenyl)thiophen-2-yl]-1-phenylprop-2-en-1-one
CID 71366312
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
(1-amino-1-oxopropan-2-yl) (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 47009511
2-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17496462
(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 38739907) is (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CN(Cc1cccs1)C(=O)/C=C/c1ccc(-c2ccccc2)s1.
What is the InChIKey of (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is SARPYYIWKFTBAE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H17NOS2/c1-20(14-17-8-5-13-22-17)19(21)12-10-16-9-11-18(23-16)15-6-3-2-4-7-15/h2-13H,14H2,1H3/b12-10+.
What are the key properties of (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 339.49 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(5-phenylthiophen-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 38739907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).