2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide

C17H21N3O4S — CID 156745128

IUPAC2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide
SMILESCCc1c(C2CC2)sc(NC(C)=O)c1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C17H21N3O4S/c1-3-10-13(16(24)19-11-6-7-12(22)20-15(11)23)17(18-8(2)21)25-14(10)9-4-5-9/h9,11H,3-7H2,1-2H3,(H,18,21)(H,19,24)(H,20,22,23)
InChIKeyXBDKVIJGHNSOLH-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.68
Rot. Bonds5

About 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide

2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide (PubChem CID 156745128) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide
PubChem CID156745128
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide
SMILESCCc1c(C2CC2)sc(NC(C)=O)c1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C17H21N3O4S/c1-3-10-13(16(24)19-11-6-7-12(22)20-15(11)23)17(18-8(2)21)25-14(10)9-4-5-9/h9,11H,3-7H2,1-2H3,(H,18,21)(H,19,24)(H,20,22,23)
InChIKeyXBDKVIJGHNSOLH-UHFFFAOYSA-N
XLogP1.68
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Methyl [3-(cyclopropylcarbamoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamate
CID 1247559
6-acetyl-2-(cyclohexanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4462502
2-(Cyclohexanecarboxamido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16806371
1-(cyclopropanecarbonyl)-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrrolidine-2-carboxamide
CID 71452296
6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4623325
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-Acetyl-2-(2-(2,5-dioxopyrrolidin-1-yl)acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 3635174
2-(cyclohexanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4520090
2-(2-(2,5-dioxopyrrolidin-1-yl)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4580816
1-acetyl-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)piperidine-4-carboxamide
CID 6466499
1-acetyl-N-[3-(cyclopropylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide
CID 17148766

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide?
The IUPAC name of 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide (CID 156745128) is 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide is CCc1c(C2CC2)sc(NC(C)=O)c1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide?
The InChIKey is XBDKVIJGHNSOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-10-13(16(24)19-11-6-7-12(22)20-15(11)23)17(18-8(2)21)25-14(10)9-4-5-9/h9,11H,3-7H2,1-2H3,(H,18,21)(H,19,24)(H,20,22,23).
What are the key properties of 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide?
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide is sourced from PubChem (CID 156745128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).