N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide

C18H20N2O3S — CID 670804

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-12(21)20(2)14-7-5-13(6-8-14)19-18(22)16-10-9-15(24-4)11-17(16)23-3/h5-11H,1-4H3,(H,19,22)
InChIKeyBOMLQJJXSNBALV-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.65
Rot. Bonds5

About N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide

N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 670804) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID670804
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-12(21)20(2)14-7-5-13(6-8-14)19-18(22)16-10-9-15(24-4)11-17(16)23-3/h5-11H,1-4H3,(H,19,22)
InChIKeyBOMLQJJXSNBALV-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide 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-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 2162628
N-(2,3-dihydro-1H-inden-5-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 2124983
N-[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2922181
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
CID 1078880
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
N-(2-fluoro-5-methylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2995158
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-[4-[acetyl(methyl)amino]phenyl]-2-bromo-5-fluorobenzamide
CID 51127237
2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide
CID 41300075

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide (CID 670804) is N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccc(N(C)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is BOMLQJJXSNBALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12(21)20(2)14-7-5-13(6-8-14)19-18(22)16-10-9-15(24-4)11-17(16)23-3/h5-11H,1-4H3,(H,19,22).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 670804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).