5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid

C22H20N2O3S — CID 53210403

IUPAC5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid
SMILESCOc1ccccc1CNCc1cn(-c2ccc(C(=O)O)s2)c2ccccc12
InChIInChI=1S/C22H20N2O3S/c1-27-19-9-5-2-6-15(19)12-23-13-16-14-24(18-8-4-3-7-17(16)18)21-11-10-20(28-21)22(25)26/h2-11,14,23H,12-13H2,1H3,(H,25,26)
InChIKeyUMUZETDOWNSGLB-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.69
Rot. Bonds7

About 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid

5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid (PubChem CID 53210403) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid
PubChem CID53210403
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid
SMILESCOc1ccccc1CNCc1cn(-c2ccc(C(=O)O)s2)c2ccccc12
InChIInChI=1S/C22H20N2O3S/c1-27-19-9-5-2-6-15(19)12-23-13-16-14-24(18-8-4-3-7-17(16)18)21-11-10-20(28-21)22(25)26/h2-11,14,23H,12-13H2,1H3,(H,25,26)
InChIKeyUMUZETDOWNSGLB-UHFFFAOYSA-N
XLogP4.69
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[[(2,5-dimethoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid
CID 53210418
5-[3-[(3-chloro-4-methoxyanilino)methyl]indol-1-yl]thiophene-2-carboxylic acid
CID 53210410
5-indol-1-yl-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 20940671
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
2-[(2-methoxyphenyl)methylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655369
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106261805
5-[[[4-(2-methoxyphenyl)-3-methylbutanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110632
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474464

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid (CID 53210403) is 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid is COc1ccccc1CNCc1cn(-c2ccc(C(=O)O)s2)c2ccccc12.
What is the InChIKey of 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid?
The InChIKey is UMUZETDOWNSGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-27-19-9-5-2-6-15(19)12-23-13-16-14-24(18-8-4-3-7-17(16)18)21-11-10-20(28-21)22(25)26/h2-11,14,23H,12-13H2,1H3,(H,25,26).
What are the key properties of 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid?
5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid has a molecular weight of 392.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[(2-methoxyphenyl)methylamino]methyl]indol-1-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 53210403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).