N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide

C21H27N3O2S — CID 55843411

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCC(c3ccsc3)N(CC)CC)[nH]c2c1
InChIInChI=1S/C21H27N3O2S/c1-4-24(5-2)20(16-9-10-27-14-16)13-22-21(25)19-11-15-7-8-17(26-6-3)12-18(15)23-19/h7-12,14,20,23H,4-6,13H2,1-3H3,(H,22,25)
InChIKeyCFEUFJXMMBEIFU-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.44
Rot. Bonds9

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide (PubChem CID 55843411) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide
PubChem CID55843411
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCC(c3ccsc3)N(CC)CC)[nH]c2c1
InChIInChI=1S/C21H27N3O2S/c1-4-24(5-2)20(16-9-10-27-14-16)13-22-21(25)19-11-15-7-8-17(26-6-3)12-18(15)23-19/h7-12,14,20,23H,4-6,13H2,1-3H3,(H,22,25)
InChIKeyCFEUFJXMMBEIFU-UHFFFAOYSA-N
XLogP4.44
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317
4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 39214885
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide
CID 55843027
N-[3-[4-(dimethylamino)phenyl]propyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55853367
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688
methyl 5-[[2-(diethylamino)-2-thiophen-3-ylethyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 55660405
2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
CID 39212841
2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119849775
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55660315
6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1H-indole-2-carboxamide
CID 122162306

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide (CID 55843411) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)NCC(c3ccsc3)N(CC)CC)[nH]c2c1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide?
The InChIKey is CFEUFJXMMBEIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-4-24(5-2)20(16-9-10-27-14-16)13-22-21(25)19-11-15-7-8-17(26-6-3)12-18(15)23-19/h7-12,14,20,23H,4-6,13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-6-ethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 55843411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).