5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide

C16H14N2O3S — CID 70756370

IUPAC5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccc3sccc3c2)o1
InChIInChI=1S/C16H14N2O3S/c1-17-16(20)13-4-3-12(21-13)9-18-15(19)11-2-5-14-10(8-11)6-7-22-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyWIMQNICKWGBBPW-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.78
Rot. Bonds4

About 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide

5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide (PubChem CID 70756370) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide
PubChem CID70756370
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccc3sccc3c2)o1
InChIInChI=1S/C16H14N2O3S/c1-17-16(20)13-4-3-12(21-13)9-18-15(19)11-2-5-14-10(8-11)6-7-22-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyWIMQNICKWGBBPW-UHFFFAOYSA-N
XLogP2.78
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245819
N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131922995
5-[[(3,4-dihydroxybenzoyl)amino]methyl]furan-2-carboxylic acid
CID 107728163
1-methyl-N-[[5-(methylcarbamoyl)furan-2-yl]methyl]-3-propylpyrazole-5-carboxamide
CID 70723882
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide
CID 50949888
N-[(2-chloro-6-pyrrol-1-ylphenyl)methyl]-1-benzothiophene-5-carboxamide
CID 71002769
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide
CID 90752129
N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
CID 119446532
N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
CID 125163780
N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587903

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide (CID 70756370) is 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CNC(=O)c2ccc3sccc3c2)o1.
What is the InChIKey of 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is WIMQNICKWGBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-17-16(20)13-4-3-12(21-13)9-18-15(19)11-2-5-14-10(8-11)6-7-22-14/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide?
5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzothiophene-5-carbonylamino)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 70756370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).