N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C21H26N4O4S2 — CID 42983279

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2C)c1
InChIInChI=1S/C21H26N4O4S2/c1-5-25(6-2)31(27,28)15-11-12-19(29-4)17(13-15)22-20(26)14-30-21-23-16-9-7-8-10-18(16)24(21)3/h7-13H,5-6,14H2,1-4H3,(H,22,26)
InChIKeyRWDJJHBOVMYDJY-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.34
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 42983279) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID42983279
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2C)c1
InChIInChI=1S/C21H26N4O4S2/c1-5-25(6-2)31(27,28)15-11-12-19(29-4)17(13-15)22-20(26)14-30-21-23-16-9-7-8-10-18(16)24(21)3/h7-13H,5-6,14H2,1-4H3,(H,22,26)
InChIKeyRWDJJHBOVMYDJY-UHFFFAOYSA-N
XLogP3.34
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24524493
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 4793905
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 4676306
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide
CID 4302126
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24643942
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-quinolin-2-ylsulfanylacetamide
CID 17421537
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 5167164
2-[5-(diethylsulfamoyl)-1-(2-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 23989847
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 42983279) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is RWDJJHBOVMYDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-5-25(6-2)31(27,28)15-11-12-19(29-4)17(13-15)22-20(26)14-30-21-23-16-9-7-8-10-18(16)24(21)3/h7-13H,5-6,14H2,1-4H3,(H,22,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 462.60 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 42983279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).