N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide

C22H23N3O2S — CID 4083899

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
SMILESCCc1sc(NC(=O)c2cccc(NC(=O)C(C)C)c2)nc1-c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-4-18-19(15-9-6-5-7-10-15)24-22(28-18)25-21(27)16-11-8-12-17(13-16)23-20(26)14(2)3/h5-14H,4H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyZYLLKZQHYXVDCI-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.22
Rot. Bonds6

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 4083899) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
PubChem CID4083899
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
SMILESCCc1sc(NC(=O)c2cccc(NC(=O)C(C)C)c2)nc1-c1ccccc1
InChIInChI=1S/C22H23N3O2S/c1-4-18-19(15-9-6-5-7-10-15)24-22(28-18)25-21(27)16-11-8-12-17(13-16)23-20(26)14(2)3/h5-14H,4H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyZYLLKZQHYXVDCI-UHFFFAOYSA-N
XLogP5.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide 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

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4284156
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651503
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
CID 43980889
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227
2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200223
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19226363
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
CID 1303973

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide (CID 4083899) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide is CCc1sc(NC(=O)c2cccc(NC(=O)C(C)C)c2)nc1-c1ccccc1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is ZYLLKZQHYXVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-4-18-19(15-9-6-5-7-10-15)24-22(28-18)25-21(27)16-11-8-12-17(13-16)23-20(26)14(2)3/h5-14H,4H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 393.51 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 4083899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).