N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide

C25H21N3O2S — CID 25157373

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H21N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h1-15H,16,26H2,(H,27,29)(H,28,30)
InChIKeyKZPWXIKODFDMCP-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.18
Rot. Bonds6

About N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide (PubChem CID 25157373) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
PubChem CID25157373
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H21N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h1-15H,16,26H2,(H,27,29)(H,28,30)
InChIKeyKZPWXIKODFDMCP-UHFFFAOYSA-N
XLogP5.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]-N,N'-dibenzylpropanediamide
CID 67279472
propyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25156236
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
(2S)-N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 25157970
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 69101574
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402
4-[2-amino-3-(ethylamino)-3-oxopropyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 76625451
[2-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]phenyl]-hydroxy-oxophosphanium
CID 68999115

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide (CID 25157373) is N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide?
The InChIKey is KZPWXIKODFDMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h1-15H,16,26H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide has a molecular weight of 427.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide is sourced from PubChem (CID 25157373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).