3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide

C15H10Cl3N3O3S — CID 2810513

IUPAC3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide
SMILESO=C(NN1CC(=O)N(c2cc(Cl)cc(Cl)c2)CC1=O)c1sccc1Cl
InChIInChI=1S/C15H10Cl3N3O3S/c16-8-3-9(17)5-10(4-8)20-6-13(23)21(7-12(20)22)19-15(24)14-11(18)1-2-25-14/h1-5H,6-7H2,(H,19,24)
InChIKeyZHFMZKABRCEHRD-UHFFFAOYSA-N
MW418.69 g/mol
LogP3.23
Rot. Bonds3

About 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide

3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide (PubChem CID 2810513) has the molecular formula C15H10Cl3N3O3S and a molecular weight of 418.69 g/mol. Its IUPAC name is 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide
PubChem CID2810513
Molecular FormulaC15H10Cl3N3O3S
Molecular Weight418.69 g/mol
Exact Mass416.95
IUPAC Name3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide
SMILESO=C(NN1CC(=O)N(c2cc(Cl)cc(Cl)c2)CC1=O)c1sccc1Cl
InChIInChI=1S/C15H10Cl3N3O3S/c16-8-3-9(17)5-10(4-8)20-6-13(23)21(7-12(20)22)19-15(24)14-11(18)1-2-25-14/h1-5H,6-7H2,(H,19,24)
InChIKeyZHFMZKABRCEHRD-UHFFFAOYSA-N
XLogP3.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.69
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AJ-292/14128010
CID 669834
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 3703002
(5-Chlorothiophen-2-yl)(4-phenylpiperazin-1-yl)methanone
CID 1245506
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
1-(2,5-Dichlorophenyl)-4-(thiophene-2-carbonyl)piperazine
CID 6487048
[4-(3-Chloro-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 755661
[4-(4-Chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 776050
N-(2-chlorophenyl)-2-[1-methyl-4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide chloride
CID 9551900
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4882933
N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazino]-2-thiophenecarboxamide
CID 2810510
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone
CID 24718910
2,5-dichloro-N-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide
CID 4139124

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide (CID 2810513) is 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide is O=C(NN1CC(=O)N(c2cc(Cl)cc(Cl)c2)CC1=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide?
The InChIKey is ZHFMZKABRCEHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O3S/c16-8-3-9(17)5-10(4-8)20-6-13(23)21(7-12(20)22)19-15(24)14-11(18)1-2-25-14/h1-5H,6-7H2,(H,19,24).
What are the key properties of 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide?
3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide has a molecular weight of 418.69 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2810513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).