4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide

C24H26N4O3S — CID 24670510

IUPAC4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C24H26N4O3S/c1-3-28(12-11-21(29)26-19-9-7-17(8-10-19)23(25)31)22(30)14-20-15-32-24(27-20)18-6-4-5-16(2)13-18/h4-10,13,15H,3,11-12,14H2,1-2H3,(H2,25,31)(H,26,29)
InChIKeyPGEGXCNVPNJLHW-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.64
Rot. Bonds9

About 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide

4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide (PubChem CID 24670510) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide
PubChem CID24670510
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C24H26N4O3S/c1-3-28(12-11-21(29)26-19-9-7-17(8-10-19)23(25)31)22(30)14-20-15-32-24(27-20)18-6-4-5-16(2)13-18/h4-10,13,15H,3,11-12,14H2,1-2H3,(H2,25,31)(H,26,29)
InChIKeyPGEGXCNVPNJLHW-UHFFFAOYSA-N
XLogP3.64
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24670513
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370077
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 31959091
N-(6-methoxy-3-pyridinyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809068
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17449852
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide (CID 24670510) is 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)Cc1csc(-c2cccc(C)c2)n1.
What is the InChIKey of 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide?
The InChIKey is PGEGXCNVPNJLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-3-28(12-11-21(29)26-19-9-7-17(8-10-19)23(25)31)22(30)14-20-15-32-24(27-20)18-6-4-5-16(2)13-18/h4-10,13,15H,3,11-12,14H2,1-2H3,(H2,25,31)(H,26,29).
What are the key properties of 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide?
4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide is sourced from PubChem (CID 24670510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).