N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide

C15H16ClN3O4S — CID 167431031

IUPACN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)C2CC2)C(=O)N1
InChIInChI=1S/C15H16ClN3O4S/c16-10-5-8(15(24-10)19-13(22)7-1-2-7)6-12(21)17-9-3-4-11(20)18-14(9)23/h5,7,9H,1-4,6H2,(H,17,21)(H,19,22)(H,18,20,23)
InChIKeyULMKDBNLIVAPFO-UHFFFAOYSA-N
MW369.83 g/mol
LogP1.21
Rot. Bonds5

About N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide

N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 167431031) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID167431031
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC NameN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)C2CC2)C(=O)N1
InChIInChI=1S/C15H16ClN3O4S/c16-10-5-8(15(24-10)19-13(22)7-1-2-7)6-12(21)17-9-3-4-11(20)18-14(9)23/h5,7,9H,1-4,6H2,(H,17,21)(H,19,22)(H,18,20,23)
InChIKeyULMKDBNLIVAPFO-UHFFFAOYSA-N
XLogP1.21
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide 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-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide
CID 58780663
(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 70931367
(2-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone
CID 70931368
5-chloro-2-(cyclopropanecarbonylamino)-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408733
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane
CID 156745019
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431020
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide
CID 167431027
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-phenylacetamide
CID 167431033
2-[2-[acetyl(methyl)amino]thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431038
2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide
CID 167431043
N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide
CID 167431046

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide (CID 167431031) is N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide is O=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)C2CC2)C(=O)N1.
What is the InChIKey of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is ULMKDBNLIVAPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c16-10-5-8(15(24-10)19-13(22)7-1-2-7)6-12(21)17-9-3-4-11(20)18-14(9)23/h5,7,9H,1-4,6H2,(H,17,21)(H,19,22)(H,18,20,23).
What are the key properties of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 369.83 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167431031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).