N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide

C18H17N3O6S — CID 50784543

IUPACN-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)CC(=O)Nc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C18H17N3O6S/c1-20-13-5-4-12(8-14(13)21(2)18(20)23)28(24,25)9-17(22)19-11-3-6-15-16(7-11)27-10-26-15/h3-8H,9-10H2,1-2H3,(H,19,22)
InChIKeyPCQJKDIGXBGZGW-UHFFFAOYSA-N
MW403.42 g/mol
LogP1.02
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide

N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide (PubChem CID 50784543) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
PubChem CID50784543
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)CC(=O)Nc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C18H17N3O6S/c1-20-13-5-4-12(8-14(13)21(2)18(20)23)28(24,25)9-17(22)19-11-3-6-15-16(7-11)27-10-26-15/h3-8H,9-10H2,1-2H3,(H,19,22)
InChIKeyPCQJKDIGXBGZGW-UHFFFAOYSA-N
XLogP1.02
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 50784533
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide
CID 50784564
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 5166921
N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784522
N-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetamide
CID 23969965
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 110674563
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784526
N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 110370490

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide (CID 50784543) is N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)CC(=O)Nc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The InChIKey is PCQJKDIGXBGZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S/c1-20-13-5-4-12(8-14(13)21(2)18(20)23)28(24,25)9-17(22)19-11-3-6-15-16(7-11)27-10-26-15/h3-8H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide has a molecular weight of 403.42 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide is sourced from PubChem (CID 50784543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).