N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide

C17H21N3O3S — CID 814209

IUPACN-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
SMILESCCN(CC(=O)Nc1nc(C)cs1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H21N3O3S/c1-4-20(10-15(21)19-17-18-12(2)11-24-17)16(22)9-13-5-7-14(23-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,21)
InChIKeyWCZIVASRYAYGJT-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.49
Rot. Bonds7

About N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide

N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide (PubChem CID 814209) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
PubChem CID814209
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
SMILESCCN(CC(=O)Nc1nc(C)cs1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C17H21N3O3S/c1-4-20(10-15(21)19-17-18-12(2)11-24-17)16(22)9-13-5-7-14(23-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,21)
InChIKeyWCZIVASRYAYGJT-UHFFFAOYSA-N
XLogP2.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814252
N-ethyl-4-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 814196
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
2-[2-(diethylamino)ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42770888
3-[(4-methoxyphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 141421075
2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4625146
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
4-ethyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4062814
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 42769939
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 42768353
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814271
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]acetamide
CID 35271838

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide (CID 814209) is N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide is CCN(CC(=O)Nc1nc(C)cs1)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is WCZIVASRYAYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-20(10-15(21)19-17-18-12(2)11-24-17)16(22)9-13-5-7-14(23-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,21).
What are the key properties of N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide?
N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 814209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).