N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide

C21H20N2O3S2 — CID 100732898

IUPACN-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1NC(C)=O
InChIInChI=1S/C21H20N2O3S2/c1-15(24)22-20-14-17(12-13-21(20)27-2)28(25,26)23-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-14,23H,1-2H3,(H,22,24)
InChIKeyPWOQKDOQIQQLGD-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.83
Rot. Bonds6

About N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide

N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 100732898) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID100732898
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC NameN-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1NC(C)=O
InChIInChI=1S/C21H20N2O3S2/c1-15(24)22-20-14-17(12-13-21(20)27-2)28(25,26)23-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-14,23H,1-2H3,(H,22,24)
InChIKeyPWOQKDOQIQQLGD-UHFFFAOYSA-N
XLogP4.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100686383
N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100693356
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100573030
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100537759
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100565594
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100621008

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide (CID 100732898) is N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide is CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1NC(C)=O.
What is the InChIKey of N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is PWOQKDOQIQQLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-15(24)22-20-14-17(12-13-21(20)27-2)28(25,26)23-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide?
N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 100732898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).