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

C19H21N3O6S — CID 50784560

IUPACN-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O6S/c1-21-15-7-6-13(10-16(15)22(2)19(21)24)29(25,26)11-18(23)20-14-9-12(27-3)5-8-17(14)28-4/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyKQSGCPYNYDQSOI-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.31
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide (PubChem CID 50784560) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
PubChem CID50784560
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O6S/c1-21-15-7-6-13(10-16(15)22(2)19(21)24)29(25,26)11-18(23)20-14-9-12(27-3)5-8-17(14)28-4/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyKQSGCPYNYDQSOI-UHFFFAOYSA-N
XLogP1.31
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784526
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
CID 46377654
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-2-prop-2-ynylsulfonylacetamide
CID 82368879
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
N-(2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1208722
N-(2,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 22520431
N-(2,5-dimethoxyphenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562340

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide (CID 50784560) is N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide is COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
The InChIKey is KQSGCPYNYDQSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-21-15-7-6-13(10-16(15)22(2)19(21)24)29(25,26)11-18(23)20-14-9-12(27-3)5-8-17(14)28-4/h5-10H,11H2,1-4H3,(H,20,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide?
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide has a molecular weight of 419.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide is sourced from PubChem (CID 50784560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).