6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide

C21H18N2O2S — CID 71809971

IUPAC6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3-c3ccsc3)[nH]c2c1
InChIInChI=1S/C21H18N2O2S/c1-25-17-7-6-14-10-20(23-19(14)11-17)21(24)22-12-15-4-2-3-5-18(15)16-8-9-26-13-16/h2-11,13,23H,12H2,1H3,(H,22,24)
InChIKeySUAMFCSZPFAPSY-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.84
Rot. Bonds5

About 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide

6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 71809971) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID71809971
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccccc3-c3ccsc3)[nH]c2c1
InChIInChI=1S/C21H18N2O2S/c1-25-17-7-6-14-10-20(23-19(14)11-17)21(24)22-12-15-4-2-3-5-18(15)16-8-9-26-13-16/h2-11,13,23H,12H2,1H3,(H,22,24)
InChIKeySUAMFCSZPFAPSY-UHFFFAOYSA-N
XLogP4.84
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1H-indole-2-carboxamide
CID 122162306
2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
CID 71809940
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
CID 38424752
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide (CID 71809971) is 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCc3ccccc3-c3ccsc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is SUAMFCSZPFAPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-25-17-7-6-14-10-20(23-19(14)11-17)21(24)22-12-15-4-2-3-5-18(15)16-8-9-26-13-16/h2-11,13,23H,12H2,1H3,(H,22,24).
What are the key properties of 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide?
6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71809971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).