5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide

C16H16N2O2S — CID 61426704

IUPAC5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C16H16N2O2S/c1-10-11(5-6-20-10)9-18(2)16(19)15-8-12-7-13(17)3-4-14(12)21-15/h3-8H,9,17H2,1-2H3
InChIKeyIMNLDYSMRHATKT-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.66
Rot. Bonds3

About 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide

5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 61426704) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID61426704
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1occc1CN(C)C(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C16H16N2O2S/c1-10-11(5-6-20-10)9-18(2)16(19)15-8-12-7-13(17)3-4-14(12)21-15/h3-8H,9,17H2,1-2H3
InChIKeyIMNLDYSMRHATKT-UHFFFAOYSA-N
XLogP3.66
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dibromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 47379906
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
5-amino-N,2,4-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 102705344
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 62860747
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
5-amino-2,4-difluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426909
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808
N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426561
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81116722

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide (CID 61426704) is 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide is Cc1occc1CN(C)C(=O)c1cc2cc(N)ccc2s1.
What is the InChIKey of 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is IMNLDYSMRHATKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-11(5-6-20-10)9-18(2)16(19)15-8-12-7-13(17)3-4-14(12)21-15/h3-8H,9,17H2,1-2H3.
What are the key properties of 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide?
5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61426704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).