1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide

C18H24N2O2S2 — CID 91950477

IUPAC1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCc1cc2cc(C(=O)N3CCCC(C(=O)NC(C)C)C3)sc2s1
InChIInChI=1S/C18H24N2O2S2/c1-4-14-8-13-9-15(24-18(13)23-14)17(22)20-7-5-6-12(10-20)16(21)19-11(2)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyZTOXYKJFHPFMFJ-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 91950477) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID91950477
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCc1cc2cc(C(=O)N3CCCC(C(=O)NC(C)C)C3)sc2s1
InChIInChI=1S/C18H24N2O2S2/c1-4-14-8-13-9-15(24-18(13)23-14)17(22)20-7-5-6-12(10-20)16(21)19-11(2)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyZTOXYKJFHPFMFJ-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953871
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
(2-ethylthieno[2,3-b]thiophen-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91950453
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919176
N-propan-2-yl-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53188076
1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953868
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
(3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-propylpiperidine-3-carboxamide
CID 95138868
1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91953801
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 91950477) is 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide is CCc1cc2cc(C(=O)N3CCCC(C(=O)NC(C)C)C3)sc2s1.
What is the InChIKey of 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is ZTOXYKJFHPFMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-4-14-8-13-9-15(24-18(13)23-14)17(22)20-7-5-6-12(10-20)16(21)19-11(2)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 364.54 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 91950477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).