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

C15H11Cl2N3O3S — CID 2810510

IUPACN-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide
SMILESO=C(NN1CC(=O)N(c2cc(Cl)cc(Cl)c2)CC1=O)c1cccs1
InChIInChI=1S/C15H11Cl2N3O3S/c16-9-4-10(17)6-11(5-9)19-7-14(22)20(8-13(19)21)18-15(23)12-2-1-3-24-12/h1-6H,7-8H2,(H,18,23)
InChIKeyQNAPTTTVYWCPFR-UHFFFAOYSA-N
MW384.24 g/mol
LogP2.58
Rot. Bonds3

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

N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide (PubChem CID 2810510) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide
PubChem CID2810510
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC NameN-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide
SMILESO=C(NN1CC(=O)N(c2cc(Cl)cc(Cl)c2)CC1=O)c1cccs1
InChIInChI=1S/C15H11Cl2N3O3S/c16-9-4-10(17)6-11(5-9)19-7-14(22)20(8-13(19)21)18-15(23)12-2-1-3-24-12/h1-6H,7-8H2,(H,18,23)
InChIKeyQNAPTTTVYWCPFR-UHFFFAOYSA-N
XLogP2.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 52.58
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-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
1-(2,5-Dichlorophenyl)-4-(thiophene-2-carbonyl)piperazine
CID 6487048
1-[4-(3-Chlorophenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 9146620
[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-(3-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075442
5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 831669
3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazino]-2-thiophenecarboxamide
CID 2810513

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide (CID 2810510) is N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 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)c1cccs1.
What is the InChIKey of N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide?
The InChIKey is QNAPTTTVYWCPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c16-9-4-10(17)6-11(5-9)19-7-14(22)20(8-13(19)21)18-15(23)12-2-1-3-24-12/h1-6H,7-8H2,(H,18,23).
What are the key properties of N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide?
N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide has a molecular weight of 384.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2810510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).