N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide

C15H12BrN3O3S — CID 4305257

IUPACN'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
SMILESO=C(NNC1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccs1
InChIInChI=1S/C15H12BrN3O3S/c16-9-3-5-10(6-4-9)19-13(20)8-11(15(19)22)17-18-14(21)12-2-1-7-23-12/h1-7,11,17H,8H2,(H,18,21)
InChIKeyBZZBHOUYVDDPFR-UHFFFAOYSA-N
MW394.25 g/mol
LogP2.08
Rot. Bonds4

About N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide

N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide (PubChem CID 4305257) has the molecular formula C15H12BrN3O3S and a molecular weight of 394.25 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
PubChem CID4305257
Molecular FormulaC15H12BrN3O3S
Molecular Weight394.25 g/mol
Exact Mass392.98
IUPAC NameN'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
SMILESO=C(NNC1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccs1
InChIInChI=1S/C15H12BrN3O3S/c16-9-3-5-10(6-4-9)19-13(20)8-11(15(19)22)17-18-14(21)12-2-1-7-23-12/h1-7,11,17H,8H2,(H,18,21)
InChIKeyBZZBHOUYVDDPFR-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide 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-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 3703002
N'-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
CID 1518334
N'-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
CID 1518335
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(thiophen-2-yl)acetohydrazide
CID 4097692
N-(4-bromo-2-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51158677
N'-(5-bromothiophene-2-carbonyl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55997995
(4E)-1-(4-bromophenyl)-4-(thiophen-2-ylmethylidene)pyrazolidine-3,5-dione
CID 794046
N-(4-bromophenyl)-1-(thien-2-ylcarbonyl)pyrrolidine-2-carboxamide
CID 46756548
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 713423
N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 713425
(4Z)-1-(4-bromophenyl)-4-(thiophen-2-ylmethylidene)pyrazolidine-3,5-dione
CID 794048
(2S)-N-(4-bromophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203466

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide (CID 4305257) is N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide is O=C(NNC1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccs1.
What is the InChIKey of N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The InChIKey is BZZBHOUYVDDPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S/c16-9-3-5-10(6-4-9)19-13(20)8-11(15(19)22)17-18-14(21)12-2-1-7-23-12/h1-7,11,17H,8H2,(H,18,21).
What are the key properties of N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide has a molecular weight of 394.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide is sourced from PubChem (CID 4305257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).