2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide

C22H21N3O2S — CID 9119210

IUPAC2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H21N3O2S/c1-2-27-22-16(8-5-11-23-22)21(26)25-14-18(20-10-6-12-28-20)17-13-24-19-9-4-3-7-15(17)19/h3-13,18,24H,2,14H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyMSKWGOHONFDFED-GOSISDBHSA-N
MW391.50 g/mol
LogP4.59
Rot. Bonds7

About 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide

2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide (PubChem CID 9119210) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
PubChem CID9119210
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H21N3O2S/c1-2-27-22-16(8-5-11-23-22)21(26)25-14-18(20-10-6-12-28-20)17-13-24-19-9-4-3-7-15(17)19/h3-13,18,24H,2,14H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyMSKWGOHONFDFED-GOSISDBHSA-N
XLogP4.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
ethyl 6-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55678396
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 55442013
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]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691271
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55329126
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55383976
1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(2-methoxyethyl)thiourea
CID 55353457
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide (CID 9119210) is 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The InChIKey is MSKWGOHONFDFED-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-2-27-22-16(8-5-11-23-22)21(26)25-14-18(20-10-6-12-28-20)17-13-24-19-9-4-3-7-15(17)19/h3-13,18,24H,2,14H2,1H3,(H,25,26)/t18-/m1/s1.
What are the key properties of 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 9119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).