N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide

C23H28N4OS — CID 69101574

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide
SMILESCN(C)CCCNCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C23H28N4OS/c1-27(2)13-4-12-25-16-17-6-8-18(9-7-17)23(28)26-21-15-19(10-11-20(21)24)22-5-3-14-29-22/h3,5-11,14-15,25H,4,12-13,16,24H2,1-2H3,(H,26,28)
InChIKeyBCZFDWNXPVOADP-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.29
Rot. Bonds9

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide (PubChem CID 69101574) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide
PubChem CID69101574
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide
SMILESCN(C)CCCNCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C23H28N4OS/c1-27(2)13-4-12-25-16-17-6-8-18(9-7-17)23(28)26-21-15-19(10-11-20(21)24)22-5-3-14-29-22/h3,5-11,14-15,25H,4,12-13,16,24H2,1-2H3,(H,26,28)
InChIKeyBCZFDWNXPVOADP-UHFFFAOYSA-N
XLogP4.29
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 24947476
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[[bis(dimethylamino)-hydroxy-λ5-phosphanylidene]amino]methyl]benzamide
CID 91383957
propyl N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25156236
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzamide
CID 24947475
4-[2-amino-3-(ethylamino)-3-oxopropyl]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 76625451
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide
CID 58283988
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 11453661

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide (CID 69101574) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide is CN(C)CCCNCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide?
The InChIKey is BCZFDWNXPVOADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-27(2)13-4-12-25-16-17-6-8-18(9-7-17)23(28)26-21-15-19(10-11-20(21)24)22-5-3-14-29-22/h3,5-11,14-15,25H,4,12-13,16,24H2,1-2H3,(H,26,28).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide has a molecular weight of 408.57 g/mol, XLogP of 4.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-[[3-(dimethylamino)propylamino]methyl]benzamide is sourced from PubChem (CID 69101574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).