N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide

C24H26N4O3S — CID 24783185

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCN1CCN(C(=O)C(O)c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)CC1
InChIInChI=1S/C24H26N4O3S/c1-27-10-12-28(13-11-27)24(31)22(29)16-4-6-17(7-5-16)23(30)26-20-15-18(8-9-19(20)25)21-3-2-14-32-21/h2-9,14-15,22,29H,10-13,25H2,1H3,(H,26,30)
InChIKeyFUCYDAHAWALZCZ-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.06
Rot. Bonds5

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 24783185) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID24783185
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCN1CCN(C(=O)C(O)c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)CC1
InChIInChI=1S/C24H26N4O3S/c1-27-10-12-28(13-11-27)24(31)22(29)16-4-6-17(7-5-16)23(30)26-20-15-18(8-9-19(20)25)21-3-2-14-32-21/h2-9,14-15,22,29H,10-13,25H2,1H3,(H,26,30)
InChIKeyFUCYDAHAWALZCZ-UHFFFAOYSA-N
XLogP3.06
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
CID 71465922
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(4-hydroxy-1-methyl-1,4-azaphosphinan-4-ium-4-yl)methyl]benzamide
CID 67317506
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-[methoxy(methyl)phosphanyl]oxyethyl]benzamide
CID 143614063
N-(2-amino-5-thiophen-2-ylphenyl)-4-(2-hydroxy-3-iodo-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 69107341
[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
CID 154074694
[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-(methylamino)-2-oxoethyl] 2-methylpropanoate
CID 24783960
(2-amino-2-methylpropoxy)-[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]ethyl]phosphinic acid
CID 25012986
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017
N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 69101347
[1-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2-(ethylamino)-2-oxoethyl]carbamic acid
CID 89437890
CID 88928326
CID 88928326

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 24783185) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide is CN1CCN(C(=O)C(O)c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)CC1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is FUCYDAHAWALZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-27-10-12-28(13-11-27)24(31)22(29)16-4-6-17(7-5-16)23(30)26-20-15-18(8-9-19(20)25)21-3-2-14-32-21/h2-9,14-15,22,29H,10-13,25H2,1H3,(H,26,30).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 24783185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).