ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate

C24H23N3O3S — CID 55678396

IUPACethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)nc1C
InChIInChI=1S/C24H23N3O3S/c1-3-30-24(29)16-10-11-21(27-15(16)2)23(28)26-14-19(22-9-6-12-31-22)18-13-25-20-8-5-4-7-17(18)20/h4-13,19,25H,3,14H2,1-2H3,(H,26,28)
InChIKeyJHTUIYYHYKAHRV-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.67
Rot. Bonds7

About ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55678396) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55678396
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Nameethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)nc1C
InChIInChI=1S/C24H23N3O3S/c1-3-30-24(29)16-10-11-21(27-15(16)2)23(28)26-14-19(22-9-6-12-31-22)18-13-25-20-8-5-4-7-17(18)20/h4-13,19,25H,3,14H2,1-2H3,(H,26,28)
InChIKeyJHTUIYYHYKAHRV-UHFFFAOYSA-N
XLogP4.67
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691271
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 9119210
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55383976
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55854839
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-6-methoxy-1H-indole-2-carboxamide
CID 55556675
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 55442013
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55329126

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate (CID 55678396) is ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)NCC(c2cccs2)c2c[nH]c3ccccc23)nc1C.
What is the InChIKey of ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is JHTUIYYHYKAHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-30-24(29)16-10-11-21(27-15(16)2)23(28)26-14-19(22-9-6-12-31-22)18-13-25-20-8-5-4-7-17(18)20/h4-13,19,25H,3,14H2,1-2H3,(H,26,28).
What are the key properties of ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 433.53 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55678396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).