N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine

C20H18N2OS — CID 141167598

IUPACN-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine
SMILESCOc1ccccc1-c1cc(Nc2ccc3[nH]ccc3c2C)cs1
InChIInChI=1S/C20H18N2OS/c1-13-15-9-10-21-18(15)8-7-17(13)22-14-11-20(24-12-14)16-5-3-4-6-19(16)23-2/h3-12,21-22H,1-2H3
InChIKeyHUOCEGWQDBZSDP-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.96
Rot. Bonds4

About N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine

N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine (PubChem CID 141167598) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine
PubChem CID141167598
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine
SMILESCOc1ccccc1-c1cc(Nc2ccc3[nH]ccc3c2C)cs1
InChIInChI=1S/C20H18N2OS/c1-13-15-9-10-21-18(15)8-7-17(13)22-14-11-20(24-12-14)16-5-3-4-6-19(16)23-2/h3-12,21-22H,1-2H3
InChIKeyHUOCEGWQDBZSDP-UHFFFAOYSA-N
XLogP5.96
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine?
The IUPAC name of N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine (CID 141167598) is N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine.
What is the SMILES notation for N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine?
The canonical SMILES for N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine is COc1ccccc1-c1cc(Nc2ccc3[nH]ccc3c2C)cs1.
What is the InChIKey of N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine?
The InChIKey is HUOCEGWQDBZSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-13-15-9-10-21-18(15)8-7-17(13)22-14-11-20(24-12-14)16-5-3-4-6-19(16)23-2/h3-12,21-22H,1-2H3.
What are the key properties of N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine?
N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine has a molecular weight of 334.44 g/mol, XLogP of 5.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)thiophen-3-yl]-4-methyl-1H-indol-5-amine is sourced from PubChem (CID 141167598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).