N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

C21H21N3O4S — CID 26841919

IUPACN-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C21H21N3O4S/c1-3-28-18-7-5-4-6-17(18)23-19(25)12-15-13-29-21(22-15)24-20(26)14-8-10-16(27-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyPPTOZPYEVHVMFE-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.98
Rot. Bonds8

About N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide

N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (PubChem CID 26841919) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
PubChem CID26841919
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
SMILESCCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C21H21N3O4S/c1-3-28-18-7-5-4-6-17(18)23-19(25)12-15-13-29-21(22-15)24-20(26)14-8-10-16(27-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,22,24,26)
InChIKeyPPTOZPYEVHVMFE-UHFFFAOYSA-N
XLogP3.98
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide 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-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228611
methyl N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883790
N-[4-[2-(2-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568011
N-[4-[3-(2-ethoxyanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 42208585
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
4-methoxy-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213386
2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915265
N-[4-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27901869
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 46586199

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide (CID 26841919) is N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
The InChIKey is PPTOZPYEVHVMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-28-18-7-5-4-6-17(18)23-19(25)12-15-13-29-21(22-15)24-20(26)14-8-10-16(27-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide?
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide has a molecular weight of 411.48 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 26841919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).