4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide

C23H26N4O2S — CID 24947476

IUPAC4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
SMILESCC(=O)N(CCN(C)C)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C23H26N4O2S/c1-16(28)27(13-12-26(2)3)19-9-6-17(7-10-19)23(29)25-21-15-18(8-11-20(21)24)22-5-4-14-30-22/h4-11,14-15H,12-13,24H2,1-3H3,(H,25,29)
InChIKeyXFQFZLPQZYOZST-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.16
Rot. Bonds7

About 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide

4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide (PubChem CID 24947476) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
PubChem CID24947476
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
SMILESCC(=O)N(CCN(C)C)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C23H26N4O2S/c1-16(28)27(13-12-26(2)3)19-9-6-17(7-10-19)23(29)25-21-15-18(8-11-20(21)24)22-5-4-14-30-22/h4-11,14-15H,12-13,24H2,1-3H3,(H,25,29)
InChIKeyXFQFZLPQZYOZST-UHFFFAOYSA-N
XLogP4.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide?
The IUPAC name of 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide (CID 24947476) is 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide?
The canonical SMILES for 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide is CC(=O)N(CCN(C)C)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide?
The InChIKey is XFQFZLPQZYOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16(28)27(13-12-26(2)3)19-9-6-17(7-10-19)23(29)25-21-15-18(8-11-20(21)24)22-5-4-14-30-22/h4-11,14-15H,12-13,24H2,1-3H3,(H,25,29).
What are the key properties of 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide?
4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-amino-5-thiophen-2-ylphenyl)benzamide is sourced from PubChem (CID 24947476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).