N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide

C22H17ClN2OS — CID 26533303

IUPACN-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
SMILESN#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2OS/c23-19-11-9-17(10-12-19)14-25-22(26)20-3-1-2-4-21(20)27-15-18-7-5-16(13-24)6-8-18/h1-12H,14-15H2,(H,25,26)
InChIKeyMQRJFAMUVKCXIZ-UHFFFAOYSA-N
MW392.91 g/mol
LogP5.43
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide

N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide (PubChem CID 26533303) has the molecular formula C22H17ClN2OS and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
PubChem CID26533303
Molecular FormulaC22H17ClN2OS
Molecular Weight392.91 g/mol
Exact Mass392.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
SMILESN#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2OS/c23-19-11-9-17(10-12-19)14-25-22(26)20-3-1-2-4-21(20)27-15-18-7-5-16(13-24)6-8-18/h1-12H,14-15H2,(H,25,26)
InChIKeyMQRJFAMUVKCXIZ-UHFFFAOYSA-N
XLogP5.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)methylsulfanyl]-N-propylbenzamide
CID 30878901
N-(2-acetamidoethyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 78772625
N-[1-(3-chlorophenyl)ethyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112759044
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(diethylamino)ethyl]benzamide
CID 112759750
2-[(4-cyanophenyl)methylsulfanyl]-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 112827242
N-(4-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112759144
4-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 19931724
N-[(4-chlorophenyl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 36701837
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-(3-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112763239
2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 112792249
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide (CID 26533303) is N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide is N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide?
The InChIKey is MQRJFAMUVKCXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2OS/c23-19-11-9-17(10-12-19)14-25-22(26)20-3-1-2-4-21(20)27-15-18-7-5-16(13-24)6-8-18/h1-12H,14-15H2,(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide?
N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide has a molecular weight of 392.91 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide is sourced from PubChem (CID 26533303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).