1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole

C22H21NO3S — CID 102313399

IUPAC1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole
SMILESCOc1cc(-c2cc(-c3cn(C)c4ccccc34)cs2)cc(OC)c1OC
InChIInChI=1S/C22H21NO3S/c1-23-12-17(16-7-5-6-8-18(16)23)15-11-21(27-13-15)14-9-19(24-2)22(26-4)20(10-14)25-3/h5-13H,1-4H3
InChIKeyVSJJEAXEEBGTGU-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.60
Rot. Bonds5

About 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole

1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole (PubChem CID 102313399) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole
PubChem CID102313399
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole
SMILESCOc1cc(-c2cc(-c3cn(C)c4ccccc34)cs2)cc(OC)c1OC
InChIInChI=1S/C22H21NO3S/c1-23-12-17(16-7-5-6-8-18(16)23)15-11-21(27-13-15)14-9-19(24-2)22(26-4)20(10-14)25-3/h5-13H,1-4H3
InChIKeyVSJJEAXEEBGTGU-UHFFFAOYSA-N
XLogP5.60
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 164617953
4-(2-methoxyphenyl)-2-phenylthiophene
CID 102031786
1-methyl-3-(4-methylphenyl)indole
CID 58931542
3-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-1-methylindole
CID 53342024
3-(2,6-dithiophen-2-yl-4-pyridinyl)-1-methylindole
CID 2322112
(E)-1-(1-methylindol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 56657919
N-[2-(dimethylamino)ethyl]-3,4,5-trimethoxy-N-(1-methylindol-3-yl)benzenesulfonamide
CID 57230069
4-hydroxy-3-methoxy-5-(1-methylindol-3-yl)benzoic acid
CID 82039848
1-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-2-pyridinyl]methyl]indole-3-carboxamide
CID 172676855
2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde
CID 122365767
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole?
The IUPAC name of 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole (CID 102313399) is 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole.
What is the SMILES notation for 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole?
The canonical SMILES for 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole is COc1cc(-c2cc(-c3cn(C)c4ccccc34)cs2)cc(OC)c1OC.
What is the InChIKey of 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole?
The InChIKey is VSJJEAXEEBGTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-23-12-17(16-7-5-6-8-18(16)23)15-11-21(27-13-15)14-9-19(24-2)22(26-4)20(10-14)25-3/h5-13H,1-4H3.
What are the key properties of 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole?
1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole has a molecular weight of 379.48 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(3,4,5-trimethoxyphenyl)thiophen-3-yl]indole is sourced from PubChem (CID 102313399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).