N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C21H26N4O3S2 — CID 24514218

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C21H26N4O3S2/c1-14-10-16(30(27,28)24(3)4)11-18(15(14)2)23-21(26)12-25-19-9-7-6-8-17(19)22-20(25)13-29-5/h6-11H,12-13H2,1-5H3,(H,23,26)
InChIKeyOGABSBRSXZPEQU-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.41
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 24514218) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID24514218
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C21H26N4O3S2/c1-14-10-16(30(27,28)24(3)4)11-18(15(14)2)23-21(26)12-25-19-9-7-6-8-17(19)22-20(25)13-29-5/h6-11H,12-13H2,1-5H3,(H,23,26)
InChIKeyOGABSBRSXZPEQU-UHFFFAOYSA-N
XLogP3.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 26721864
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
N-(2-methyl-5-nitrophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 37347553
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 24514121
N,N-dimethyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 33366215
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
N-(3-bromophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 40723945
4-methyl-3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55785219
N-[3-(cyclopropylsulfamoyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 25442102
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47016427
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 51254645

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 24514218) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is CSCc1nc2ccccc2n1CC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is OGABSBRSXZPEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-14-10-16(30(27,28)24(3)4)11-18(15(14)2)23-21(26)12-25-19-9-7-6-8-17(19)22-20(25)13-29-5/h6-11H,12-13H2,1-5H3,(H,23,26).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 446.60 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 24514218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).