5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide

C21H18N2O2S — CID 20940671

IUPAC5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-n2ccc3ccccc32)s1
InChIInChI=1S/C21H18N2O2S/c1-25-18-9-5-3-7-16(18)14-22-21(24)19-10-11-20(26-19)23-13-12-15-6-2-4-8-17(15)23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyBXYONHJJALPLOY-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.63
Rot. Bonds5

About 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide

5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 20940671) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID20940671
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-n2ccc3ccccc32)s1
InChIInChI=1S/C21H18N2O2S/c1-25-18-9-5-3-7-16(18)14-22-21(24)19-10-11-20(26-19)23-13-12-15-6-2-4-8-17(15)23/h2-13H,14H2,1H3,(H,22,24)
InChIKeyBXYONHJJALPLOY-UHFFFAOYSA-N
XLogP4.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294
5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid
CID 53210403
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124439
N-[(2-methoxyphenyl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 32736162
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
CID 39314062
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 20940535
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 55594760

Frequently Asked Questions

What is the IUPAC name of 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 20940671) is 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(-n2ccc3ccccc32)s1.
What is the InChIKey of 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is BXYONHJJALPLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-25-18-9-5-3-7-16(18)14-22-21(24)19-10-11-20(26-19)23-13-12-15-6-2-4-8-17(15)23/h2-13H,14H2,1H3,(H,22,24).
What are the key properties of 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide?
5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 20940671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).