N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide

C22H20ClNO2S — CID 100763591

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C22H20ClNO2S/c1-15-13-17(9-12-20(15)26-2)22(25)24-19-5-3-4-6-21(19)27-14-16-7-10-18(23)11-8-16/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyFSPDANBWKZPHFG-UHFFFAOYSA-N
MW397.93 g/mol
LogP6.20
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide (PubChem CID 100763591) has the molecular formula C22H20ClNO2S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide
PubChem CID100763591
Molecular FormulaC22H20ClNO2S
Molecular Weight397.93 g/mol
Exact Mass397.09
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C22H20ClNO2S/c1-15-13-17(9-12-20(15)26-2)22(25)24-19-5-3-4-6-21(19)27-14-16-7-10-18(23)11-8-16/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyFSPDANBWKZPHFG-UHFFFAOYSA-N
XLogP6.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.93
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide
CID 100749756
4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 31967245
N-(2,3-dichlorophenyl)-4-methoxy-3-methylbenzamide
CID 18892517
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221077
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
3,4-dichloro-N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]benzamide
CID 134097099
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892860
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100718396
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201946
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897680

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide (CID 100763591) is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide is COc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide?
The InChIKey is FSPDANBWKZPHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2S/c1-15-13-17(9-12-20(15)26-2)22(25)24-19-5-3-4-6-21(19)27-14-16-7-10-18(23)11-8-16/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide has a molecular weight of 397.93 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 100763591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).