N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide

C23H25N5O3S — CID 24947291

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)CN(CC(=O)NC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C23H25N5O3S/c1-25-21(29)13-28(14-22(30)26-2)17-8-5-15(6-9-17)23(31)27-19-12-16(7-10-18(19)24)20-4-3-11-32-20/h3-12H,13-14,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyNXKWHVPEPBUXRL-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.55
Rot. Bonds8

About N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide (PubChem CID 24947291) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide
PubChem CID24947291
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide
SMILESCNC(=O)CN(CC(=O)NC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C23H25N5O3S/c1-25-21(29)13-28(14-22(30)26-2)17-8-5-15(6-9-17)23(31)27-19-12-16(7-10-18(19)24)20-4-3-11-32-20/h3-12H,13-14,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyNXKWHVPEPBUXRL-UHFFFAOYSA-N
XLogP2.55
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.55
H-Bond Donors ≤ 54
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-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzamide
CID 24947475
4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
CID 24947476
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
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-(benzamidomethyl)benzamide
CID 25157373
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
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-(dimethylamino)propylamino]methyl]benzamide
CID 69101574
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[[bis(dimethylamino)-hydroxy-λ5-phosphanylidene]amino]methyl]benzamide
CID 91383957

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide (CID 24947291) is N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide is CNC(=O)CN(CC(=O)NC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is NXKWHVPEPBUXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-25-21(29)13-28(14-22(30)26-2)17-8-5-15(6-9-17)23(31)27-19-12-16(7-10-18(19)24)20-4-3-11-32-20/h3-12H,13-14,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 451.55 g/mol, XLogP of 2.55, 8 rotatable bonds, 4 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-[bis[2-(methylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 24947291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).