2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

C16H19N3O4S — CID 167431042

IUPAC2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1scc(C2CC2)c1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4S/c1-8(20)17-16-10(11(7-24-16)9-2-3-9)6-14(22)18-12-4-5-13(21)19-15(12)23/h7,9,12H,2-6H2,1H3,(H,17,20)(H,18,22)(H,19,21,23)
InChIKeyAJWDNXGJRDMAKP-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.05
Rot. Bonds5

About 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431042) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431042
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1scc(C2CC2)c1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4S/c1-8(20)17-16-10(11(7-24-16)9-2-3-9)6-14(22)18-12-4-5-13(21)19-15(12)23/h7,9,12H,2-6H2,1H3,(H,17,20)(H,18,22)(H,19,21,23)
InChIKeyAJWDNXGJRDMAKP-UHFFFAOYSA-N
XLogP1.05
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide
CID 167431037
N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide
CID 167431062
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
N-(2,6-dioxopiperidin-3-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 154810812
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593
N-(2,5-dioxopyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463244
N-(2,6-dioxopiperidin-3-yl)-4-ethylsulfonylbenzamide
CID 146124036

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431042) is 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is CC(=O)Nc1scc(C2CC2)c1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is AJWDNXGJRDMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-8(20)17-16-10(11(7-24-16)9-2-3-9)6-14(22)18-12-4-5-13(21)19-15(12)23/h7,9,12H,2-6H2,1H3,(H,17,20)(H,18,22)(H,19,21,23).
What are the key properties of 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).