N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide

C21H18FNO2S — CID 19318774

IUPACN-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SCc3ccccc3F)c2)c1
InChIInChI=1S/C21H18FNO2S/c1-25-18-9-4-7-15(12-18)21(24)23-17-8-5-10-19(13-17)26-14-16-6-2-3-11-20(16)22/h2-13H,14H2,1H3,(H,23,24)
InChIKeySIMUVIPYAVNJSY-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.38
Rot. Bonds6

About N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide

N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide (PubChem CID 19318774) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide
PubChem CID19318774
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC NameN-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SCc3ccccc3F)c2)c1
InChIInChI=1S/C21H18FNO2S/c1-25-18-9-4-7-15(12-18)21(24)23-17-8-5-10-19(13-17)26-14-16-6-2-3-11-20(16)22/h2-13H,14H2,1H3,(H,23,24)
InChIKeySIMUVIPYAVNJSY-UHFFFAOYSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-4-methoxybenzamide
CID 19318775
N-[(E)-1-(2,4-dimethoxyphenyl)-3-[3-[(2-fluorophenyl)methylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19300418
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047971
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]phenyl]-3-methoxybenzamide
CID 19318801
N-[(E)-1-(3,4-dimethoxyphenyl)-3-[3-[(2-fluorophenyl)methylsulfanyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19300464
ethyl 4-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-3-oxobutanoate
CID 19318477
1-(4-acetylphenyl)-3-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]thiourea
CID 19318355
N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 19299539
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide (CID 19318774) is N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(SCc3ccccc3F)c2)c1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide?
The InChIKey is SIMUVIPYAVNJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2S/c1-25-18-9-4-7-15(12-18)21(24)23-17-8-5-10-19(13-17)26-14-16-6-2-3-11-20(16)22/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide?
N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide has a molecular weight of 367.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 19318774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).