N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C21H21N3O3S2 — CID 32945841

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1
InChIInChI=1S/C21H21N3O3S2/c1-24(2)20(25)11-27-17-9-7-15(8-10-17)23-21(26)18-5-3-4-6-19(18)29-13-16-12-28-14-22-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,26)
InChIKeyHDLGPDUYQVGUDR-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.15
Rot. Bonds8

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 32945841) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID32945841
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1
InChIInChI=1S/C21H21N3O3S2/c1-24(2)20(25)11-27-17-9-7-15(8-10-17)23-21(26)18-5-3-4-6-19(18)29-13-16-12-28-14-22-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,26)
InChIKeyHDLGPDUYQVGUDR-UHFFFAOYSA-N
XLogP4.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)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-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46476875
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55890816
N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30887149
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)benzamide
CID 9034683
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 56556157
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
N-[2-(4-butoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55797013
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 39505038
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55731318
2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 75385769
N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55536973
N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 18154994

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 32945841) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is CN(C)C(=O)COc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is HDLGPDUYQVGUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-24(2)20(25)11-27-17-9-7-15(8-10-17)23-21(26)18-5-3-4-6-19(18)29-13-16-12-28-14-22-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 32945841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).