N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide

C19H19N3O2S — CID 78806087

IUPACN'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2)c(C)n1Cc1cccs1
InChIInChI=1S/C19H19N3O2S/c1-13-11-17(14(2)22(13)12-16-9-6-10-25-16)19(24)21-20-18(23)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQSPIPBYXDRJRRS-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.29
Rot. Bonds4

About N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide

N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide (PubChem CID 78806087) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
PubChem CID78806087
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccccc2)c(C)n1Cc1cccs1
InChIInChI=1S/C19H19N3O2S/c1-13-11-17(14(2)22(13)12-16-9-6-10-25-16)19(24)21-20-18(23)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQSPIPBYXDRJRRS-UHFFFAOYSA-N
XLogP3.29
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-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-adamantyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55381187
N-(3-hydroxybutyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 111428991
N-[2-(ethoxymethyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 86822596
N-(furan-2-ylmethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 78805100
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
CID 55380671
N-[(2,5-dimethylfuran-3-yl)methyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 86951558
2,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 142228295
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 17446637
N-(2-cyclopentylethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55564357
2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 166201437
N-(3-butoxypropyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134031591
[2-(2-acetylanilino)-2-oxoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8508755

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide?
The IUPAC name of N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide (CID 78806087) is N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccccc2)c(C)n1Cc1cccs1.
What is the InChIKey of N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide?
The InChIKey is QSPIPBYXDRJRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-11-17(14(2)22(13)12-16-9-6-10-25-16)19(24)21-20-18(23)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide?
N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide has a molecular weight of 353.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide is sourced from PubChem (CID 78806087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).