N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide

C20H28N4O4S — CID 9419702

IUPACN-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2SC(CN(C)CC(=O)NC(C)C)=NC2=O)cc1
InChIInChI=1S/C20H28N4O4S/c1-5-28-15-8-6-14(7-9-15)22-17(25)10-16-20(27)23-19(29-16)12-24(4)11-18(26)21-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,21,26)(H,22,25)/t16-/m0/s1
InChIKeyQWGNTJYOXPMBIQ-INIZCTEOSA-N
MW420.54 g/mol
LogP1.91
Rot. Bonds10

About N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide

N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 9419702) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID9419702
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2SC(CN(C)CC(=O)NC(C)C)=NC2=O)cc1
InChIInChI=1S/C20H28N4O4S/c1-5-28-15-8-6-14(7-9-15)22-17(25)10-16-20(27)23-19(29-16)12-24(4)11-18(26)21-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,21,26)(H,22,25)/t16-/m0/s1
InChIKeyQWGNTJYOXPMBIQ-INIZCTEOSA-N
XLogP1.91
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide 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

[(5R)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9419695
[(5S)-5-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9419701
2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide
CID 9419673
N-(4-ethoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220298
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025351
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-[[2-(4-ethoxyphenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475810
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 9049215
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18197658
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 9419702) is N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide is CCOc1ccc(NC(=O)C[C@@H]2SC(CN(C)CC(=O)NC(C)C)=NC2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is QWGNTJYOXPMBIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-5-28-15-8-6-14(7-9-15)22-17(25)10-16-20(27)23-19(29-16)12-24(4)11-18(26)21-13(2)3/h6-9,13,16H,5,10-12H2,1-4H3,(H,21,26)(H,22,25)/t16-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(5S)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 9419702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).