4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide

C15H16N2O2S — CID 56708880

IUPAC4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide
SMILESCc1cc2c(c(-c3csc(C(N)=O)c3)c1)OC(CN)C2
InChIInChI=1S/C15H16N2O2S/c1-8-2-9-4-11(6-16)19-14(9)12(3-8)10-5-13(15(17)18)20-7-10/h2-3,5,7,11H,4,6,16H2,1H3,(H2,17,18)
InChIKeyXOWCCAMQMIOBHG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.08
Rot. Bonds3

About 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide

4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide (PubChem CID 56708880) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide
PubChem CID56708880
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide
SMILESCc1cc2c(c(-c3csc(C(N)=O)c3)c1)OC(CN)C2
InChIInChI=1S/C15H16N2O2S/c1-8-2-9-4-11(6-16)19-14(9)12(3-8)10-5-13(15(17)18)20-7-10/h2-3,5,7,11H,4,6,16H2,1H3,(H2,17,18)
InChIKeyXOWCCAMQMIOBHG-UHFFFAOYSA-N
XLogP2.08
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125171641
(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56707530
[(2R)-5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95206107
2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide
CID 95208143
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56721337
[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118759021
[(2R)-5-chloro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383339
(5-methyl-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56711820
4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile
CID 56706700

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide (CID 56708880) is 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide is Cc1cc2c(c(-c3csc(C(N)=O)c3)c1)OC(CN)C2.
What is the InChIKey of 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide?
The InChIKey is XOWCCAMQMIOBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-8-2-9-4-11(6-16)19-14(9)12(3-8)10-5-13(15(17)18)20-7-10/h2-3,5,7,11H,4,6,16H2,1H3,(H2,17,18).
What are the key properties of 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide?
4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56708880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).