N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide

C20H20N2O3S — CID 46281672

IUPACN,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
SMILESCCN(CC)C(=O)c1oc2ccccc2c1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C20H20N2O3S/c1-3-22(4-2)20(24)19-18(15-9-5-6-10-16(15)25-19)21-17(23)12-11-14-8-7-13-26-14/h5-13H,3-4H2,1-2H3,(H,21,23)/b12-11+
InChIKeyCHKTWJWUOXUQEQ-VAWYXSNFSA-N
MW368.46 g/mol
LogP4.63
Rot. Bonds6

About N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide

N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 46281672) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
PubChem CID46281672
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
SMILESCCN(CC)C(=O)c1oc2ccccc2c1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C20H20N2O3S/c1-3-22(4-2)20(24)19-18(15-9-5-6-10-16(15)25-19)21-17(23)12-11-14-8-7-13-26-14/h5-13H,3-4H2,1-2H3,(H,21,23)/b12-11+
InChIKeyCHKTWJWUOXUQEQ-VAWYXSNFSA-N
XLogP4.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide (CID 46281672) is N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide is CCN(CC)C(=O)c1oc2ccccc2c1NC(=O)/C=C/c1cccs1.
What is the InChIKey of N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is CHKTWJWUOXUQEQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-22(4-2)20(24)19-18(15-9-5-6-10-16(15)25-19)21-17(23)12-11-14-8-7-13-26-14/h5-13H,3-4H2,1-2H3,(H,21,23)/b12-11+.
What are the key properties of N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide?
N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46281672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).