N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide

C20H24N2O4S — CID 9096637

IUPACN-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
SMILESCOc1cc(NC(=O)c2ccccc2SCC(=O)NC(C)C)cc(OC)c1
InChIInChI=1S/C20H24N2O4S/c1-13(2)21-19(23)12-27-18-8-6-5-7-17(18)20(24)22-14-9-15(25-3)11-16(10-14)26-4/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyJEDBXNJBHZENTG-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.57
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide

N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide (PubChem CID 9096637) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
PubChem CID9096637
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
SMILESCOc1cc(NC(=O)c2ccccc2SCC(=O)NC(C)C)cc(OC)c1
InChIInChI=1S/C20H24N2O4S/c1-13(2)21-19(23)12-27-18-8-6-5-7-17(18)20(24)22-14-9-15(25-3)11-16(10-14)26-4/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyJEDBXNJBHZENTG-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide 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-(3,5-difluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55453856
N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8744220
N-(4-ethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8745389
N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55389585
N-[(6-methoxynaphthalen-2-yl)methyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 41257208
S-[4-[[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529745
N-(2-chloro-4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55345757
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22780504
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
N-(2-amino-2-oxoethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9295788
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide (CID 9096637) is N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide is COc1cc(NC(=O)c2ccccc2SCC(=O)NC(C)C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?
The InChIKey is JEDBXNJBHZENTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13(2)21-19(23)12-27-18-8-6-5-7-17(18)20(24)22-14-9-15(25-3)11-16(10-14)26-4/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?
N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide is sourced from PubChem (CID 9096637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).