N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide

C24H27N5O3 — CID 52989905

IUPACN-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C24H27N5O3/c1-29(22-14-21(27-28-22)17-8-3-2-4-9-17)16-23(30)26-20-12-6-5-11-19(20)24(31)25-15-18-10-7-13-32-18/h2-13,21-22,27-28H,14-16H2,1H3,(H,25,31)(H,26,30)
InChIKeyWMYXVIDTJJPSNS-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.65
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide (PubChem CID 52989905) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide
PubChem CID52989905
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C24H27N5O3/c1-29(22-14-21(27-28-22)17-8-3-2-4-9-17)16-23(30)26-20-12-6-5-11-19(20)24(31)25-15-18-10-7-13-32-18/h2-13,21-22,27-28H,14-16H2,1H3,(H,25,31)(H,26,30)
InChIKeyWMYXVIDTJJPSNS-UHFFFAOYSA-N
XLogP2.65
TPSA98.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide 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

2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26551359
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317344
2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 24507737
6-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4592767
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide (CID 52989905) is N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide?
The InChIKey is WMYXVIDTJJPSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-29(22-14-21(27-28-22)17-8-3-2-4-9-17)16-23(30)26-20-12-6-5-11-19(20)24(31)25-15-18-10-7-13-32-18/h2-13,21-22,27-28H,14-16H2,1H3,(H,25,31)(H,26,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.65, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-[methyl-(5-phenylpyrazolidin-3-yl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 52989905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).