N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide

C17H21N3O3S — CID 100659254

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(CCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1
InChIInChI=1S/C17H21N3O3S/c1-12-11-24-16(18-12)9-8-15(21)19-13-4-6-14(7-5-13)23-10-17(22)20(2)3/h4-7,11H,8-10H2,1-3H3,(H,19,21)
InChIKeyOYENKZNKOHLBMY-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.49
Rot. Bonds7

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 100659254) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID100659254
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(CCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1
InChIInChI=1S/C17H21N3O3S/c1-12-11-24-16(18-12)9-8-15(21)19-13-4-6-14(7-5-13)23-10-17(22)20(2)3/h4-7,11H,8-10H2,1-3H3,(H,19,21)
InChIKeyOYENKZNKOHLBMY-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

Analyze N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide 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-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388497
2-(aminomethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119713421
3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110388522
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(methanesulfonamido)propanamide
CID 47043097
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
CID 32945767
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,3-dimethylbutanamide
CID 32943486
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30860406
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpropanamide
CID 32943144

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 100659254) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(CCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OYENKZNKOHLBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-11-24-16(18-12)9-8-15(21)19-13-4-6-14(7-5-13)23-10-17(22)20(2)3/h4-7,11H,8-10H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide 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-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 100659254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).