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

C16H19N3O4S — CID 166152006

IUPAC2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C2CC2)c(C)c1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4S/c1-7-12(15(23)18-10-5-6-11(21)19-14(10)22)16(17-8(2)20)24-13(7)9-3-4-9/h9-10H,3-6H2,1-2H3,(H,17,20)(H,18,23)(H,19,21,22)
InChIKeyWMHXCEWZPLZEFI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.43
Rot. Bonds4

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

2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide (PubChem CID 166152006) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide
PubChem CID166152006
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C2CC2)c(C)c1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4S/c1-7-12(15(23)18-10-5-6-11(21)19-14(10)22)16(17-8(2)20)24-13(7)9-3-4-9/h9-10H,3-6H2,1-2H3,(H,17,20)(H,18,23)(H,19,21,22)
InChIKeyWMHXCEWZPLZEFI-UHFFFAOYSA-N
XLogP1.43
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.43
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-methylthiophene-3-carboxamide?
The IUPAC name of 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide (CID 166152006) is 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide is CC(=O)Nc1sc(C2CC2)c(C)c1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide?
The InChIKey is WMHXCEWZPLZEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-7-12(15(23)18-10-5-6-11(21)19-14(10)22)16(17-8(2)20)24-13(7)9-3-4-9/h9-10H,3-6H2,1-2H3,(H,17,20)(H,18,23)(H,19,21,22).
What are the key properties of 2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide?
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.43, 4 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-methylthiophene-3-carboxamide is sourced from PubChem (CID 166152006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).