N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide

C20H24N4O3S2 — CID 4883075

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(SC)nc3ccccc32)cc1
InChIInChI=1S/C20H24N4O3S2/c1-4-23(5-2)29(26,27)16-12-10-15(11-13-16)21-19(25)14-24-18-9-7-6-8-17(18)22-20(24)28-3/h6-13H,4-5,14H2,1-3H3,(H,21,25)
InChIKeyTWCFYUHMAHAAFL-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.43
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide (PubChem CID 4883075) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
PubChem CID4883075
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(SC)nc3ccccc32)cc1
InChIInChI=1S/C20H24N4O3S2/c1-4-23(5-2)29(26,27)16-12-10-15(11-13-16)21-19(25)14-24-18-9-7-6-8-17(18)22-20(24)28-3/h6-13H,4-5,14H2,1-3H3,(H,21,25)
InChIKeyTWCFYUHMAHAAFL-UHFFFAOYSA-N
XLogP3.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4843555
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
CID 4883079
N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26196060
2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 25330591
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 23611456
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
N-[4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]-3-methylbutanamide
CID 46543245
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
N,N-diethyl-4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 17467311
N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27098326

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide (CID 4883075) is N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(SC)nc3ccccc32)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide?
The InChIKey is TWCFYUHMAHAAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-4-23(5-2)29(26,27)16-12-10-15(11-13-16)21-19(25)14-24-18-9-7-6-8-17(18)22-20(24)28-3/h6-13H,4-5,14H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 4883075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).