2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

C16H18ClN3O4S — CID 167431087

IUPAC2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(C2CC2)c(Cl)c1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H18ClN3O4S/c1-7(21)18-16-9(13(17)14(25-16)8-2-3-8)6-12(23)19-10-4-5-11(22)20-15(10)24/h8,10H,2-6H2,1H3,(H,18,21)(H,19,23)(H,20,22,24)
InChIKeyYKFZJUYPYKMTFI-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.70
Rot. Bonds5

About 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431087) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431087
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(C2CC2)c(Cl)c1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H18ClN3O4S/c1-7(21)18-16-9(13(17)14(25-16)8-2-3-8)6-12(23)19-10-4-5-11(22)20-15(10)24/h8,10H,2-6H2,1H3,(H,18,21)(H,19,23)(H,20,22,24)
InChIKeyYKFZJUYPYKMTFI-UHFFFAOYSA-N
XLogP1.70
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-acetamido-4-chloro-5-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

2-acetamido-4-chloro-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408106
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide
CID 156745128
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide
CID 166152006
N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide
CID 166155394
2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431020
2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431022
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide
CID 167431033
2-(2-acetamido-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431036
2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431042
2-(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431045
N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide
CID 167431062
2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide
CID 177149921

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431087) is 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is CC(=O)Nc1sc(C2CC2)c(Cl)c1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is YKFZJUYPYKMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-7(21)18-16-9(13(17)14(25-16)8-2-3-8)6-12(23)19-10-4-5-11(22)20-15(10)24/h8,10H,2-6H2,1H3,(H,18,21)(H,19,23)(H,20,22,24).
What are the key properties of 2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 383.86 g/mol, XLogP of 1.70, 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-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).