N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide

C20H15NO3S — CID 127029494

IUPACN-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1
InChIInChI=1S/C20H15NO3S/c1-21-19(22)13-4-2-12(3-5-13)17-8-9-18(25-17)14-6-7-16-15(10-14)11-24-20(16)23/h2-10H,11H2,1H3,(H,21,22)
InChIKeyOHXZQRWUUVCCHR-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.11
Rot. Bonds3

About N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide

N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (PubChem CID 127029494) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
PubChem CID127029494
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC NameN-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1
InChIInChI=1S/C20H15NO3S/c1-21-19(22)13-4-2-12(3-5-13)17-8-9-18(25-17)14-6-7-16-15(10-14)11-24-20(16)23/h2-10H,11H2,1H3,(H,21,22)
InChIKeyOHXZQRWUUVCCHR-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,4-dimethylbenzoate
CID 2364533
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 3464336
4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029491
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidine-2,5-dione
CID 53261773
(3Z)-3-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]pyrrolidin-2-one
CID 53261774
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,4-dimethylbenzoate
CID 2364510
Methyl 4-[[(3-phenylthiophene-2-carbonyl)amino]methyl]benzoate
CID 24684587
(5E)-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 57399612
3-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
CID 127029490
methyl 4-[(E)-2-propyl-1-(thiophene-2-carbonylamino)hex-2-enyl]benzoate
CID 5771846
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,4,6-trimethylbenzoate
CID 2482714
methyl 4-[(E,1R)-2-propyl-1-(thiophene-2-carbonylamino)hex-2-enyl]benzoate
CID 44592614

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide (CID 127029494) is N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is CNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1.
What is the InChIKey of N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
The InChIKey is OHXZQRWUUVCCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-21-19(22)13-4-2-12(3-5-13)17-8-9-18(25-17)14-6-7-16-15(10-14)11-24-20(16)23/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide?
N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 127029494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).