N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide

C18H19N3O3S — CID 23969973

IUPACN-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide
SMILESCc1ccc2nc(S(=O)(=O)CC(=O)Nc3ccc(C)c(C)c3)[nH]c2c1
InChIInChI=1S/C18H19N3O3S/c1-11-4-7-15-16(8-11)21-18(20-15)25(23,24)10-17(22)19-14-6-5-12(2)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFTYHVGLIAPHBTN-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.90
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide

N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide (PubChem CID 23969973) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide
PubChem CID23969973
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide
SMILESCc1ccc2nc(S(=O)(=O)CC(=O)Nc3ccc(C)c(C)c3)[nH]c2c1
InChIInChI=1S/C18H19N3O3S/c1-11-4-7-15-16(8-11)21-18(20-15)25(23,24)10-17(22)19-14-6-5-12(2)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFTYHVGLIAPHBTN-UHFFFAOYSA-N
XLogP2.90
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 23771917
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N-carbamoylacetamide
CID 61368394
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
2-(3,4-dimethylphenyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131918595
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 22583020
6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole
CID 20680808
N-(3,4-dimethylphenyl)-2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide
CID 46346276
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide (CID 23969973) is N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide is Cc1ccc2nc(S(=O)(=O)CC(=O)Nc3ccc(C)c(C)c3)[nH]c2c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide?
The InChIKey is FTYHVGLIAPHBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11-4-7-15-16(8-11)21-18(20-15)25(23,24)10-17(22)19-14-6-5-12(2)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide?
N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide is sourced from PubChem (CID 23969973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).