N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide

C22H21NO2S — CID 24671646

IUPACN-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2S/c1-25-21-15-19(26-2)13-14-20(21)22(24)23(18-11-7-4-8-12-18)16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3
InChIKeyAEIWIZFQCGLSSD-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.26
Rot. Bonds6

About N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide

N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide (PubChem CID 24671646) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
PubChem CID24671646
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2S/c1-25-21-15-19(26-2)13-14-20(21)22(24)23(18-11-7-4-8-12-18)16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3
InChIKeyAEIWIZFQCGLSSD-UHFFFAOYSA-N
XLogP5.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

JX401
CID 1126109
(2,3-Dihydro-indol-1-yl)-(2-methoxy-4-methylsulfanyl-phenyl)-methanone
CID 602616
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
CID 965190
ethyl 2-(10H-phenothiazin-10-ylcarbonyl)phenyl ether
CID 753236
2-Methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)-phenyl]-benzamide
CID 1075656
(4-Benzylpiperazin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1124072
1-[2-Methoxy-4-(methylsulfanyl)benzoyl]-4-(2-methoxyphenyl)piperazine
CID 1147568
[2-Methoxy-4-(methylsulfanyl)phenyl](3-methylpiperidin-1-yl)methanone
CID 2890365
(2-methoxyphenyl)(10H-phenothiazin-10-yl)methanone
CID 695276
N-cyclohexyl-2-methoxy-4-(methylsulfanyl)benzamide
CID 842497
1-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-(4-methoxy-phenyl)-1,5-dihydro-pyrrol-2-one
CID 44293786

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide?
The IUPAC name of N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide (CID 24671646) is N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide.
What is the SMILES notation for N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide?
The canonical SMILES for N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide is COc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide?
The InChIKey is AEIWIZFQCGLSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-25-21-15-19(26-2)13-14-20(21)22(24)23(18-11-7-4-8-12-18)16-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3.
What are the key properties of N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide?
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide has a molecular weight of 363.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide is sourced from PubChem (CID 24671646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).