2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide

C15H21N3O3S — CID 156745040

IUPAC2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide
SMILESCC(=O)Nc1scc(C(C)C)c1C(=O)NC1CCCNC1=O
InChIInChI=1S/C15H21N3O3S/c1-8(2)10-7-22-15(17-9(3)19)12(10)14(21)18-11-5-4-6-16-13(11)20/h7-8,11H,4-6H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyPZDCQYQBQJQAQL-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.84
Rot. Bonds4

About 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide

2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide (PubChem CID 156745040) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide
PubChem CID156745040
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide
SMILESCC(=O)Nc1scc(C(C)C)c1C(=O)NC1CCCNC1=O
InChIInChI=1S/C15H21N3O3S/c1-8(2)10-7-22-15(17-9(3)19)12(10)14(21)18-11-5-4-6-16-13(11)20/h7-8,11H,4-6H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyPZDCQYQBQJQAQL-UHFFFAOYSA-N
XLogP1.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[Cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460374
2-[2-(Cyclohexyl-propionyl-amino)-acetylamino]-4,5-dimethyl-thiophene-3-carboxylic acid amide
CID 1460375
6-ethyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 137641141
2-(acetylamino)-4,5-dimethyl-N-(propan-2-yl)thiophene-3-carboxamide
CID 748651
3-Thiophenecarboxamide, 2-[[[cyclohexyl(2-methyl-1-oxopropyl)amino]acetyl]amino]-4,5-dimethyl-
CID 1460380
3-Thiophenecarboxamide, 2-[[[cyclohexyl(cyclopropylcarbonyl)amino]acetyl]amino]-4,5-dimethyl-
CID 1460392
2-[[2-[Cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460420
2-[[2-[4-(2-Ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460442
3-Thiophenecarboxamide, 2-[[[cyclopentyl(1-oxobutyl)amino]acetyl]amino]-4,5-dimethyl-
CID 3217123
2-{2-[4-(2,2-Dimethylpropanoyl)piperazin-1-YL]acetamido}-4,5-dimethylthiophene-3-carboxamide
CID 43813763
2-[[2-[4-(Cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813764
N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide
CID 71884106

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide (CID 156745040) is 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide is CC(=O)Nc1scc(C(C)C)c1C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide?
The InChIKey is PZDCQYQBQJQAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-8(2)10-7-22-15(17-9(3)19)12(10)14(21)18-11-5-4-6-16-13(11)20/h7-8,11H,4-6H2,1-3H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide?
2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 156745040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).