N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C23H24N4O3S — CID 24670513

IUPACN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C23H24N4O3S/c1-3-27(13-12-20(28)25-18-10-8-16(9-11-18)21(24)29)23(30)19-14-31-22(26-19)17-6-4-15(2)5-7-17/h4-11,14H,3,12-13H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyHMKHXWJTJZMLHE-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.71
Rot. Bonds8

About N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24670513) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24670513
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C23H24N4O3S/c1-3-27(13-12-20(28)25-18-10-8-16(9-11-18)21(24)29)23(30)19-14-31-22(26-19)17-6-4-15(2)5-7-17/h4-11,14H,3,12-13H2,1-2H3,(H2,24,29)(H,25,28)
InChIKeyHMKHXWJTJZMLHE-UHFFFAOYSA-N
XLogP3.71
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[ethyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoylamino]benzamide
CID 24670510
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
CID 24670472
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 38134077
N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
CID 31412018
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736530
4-amino-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-3-nitrobenzamide
CID 46558439
4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727454
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 27775959
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24670488
N-[3-(4-carbamoylanilino)-3-oxopropyl]-1-(2-chlorophenyl)-N-ethyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 24670500
N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34317120

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 24670513) is N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HMKHXWJTJZMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-3-27(13-12-20(28)25-18-10-8-16(9-11-18)21(24)29)23(30)19-14-31-22(26-19)17-6-4-15(2)5-7-17/h4-11,14H,3,12-13H2,1-2H3,(H2,24,29)(H,25,28).
What are the key properties of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24670513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).