N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide

C21H24N4O4S2 — CID 2388067

IUPACN-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C21H24N4O4S2/c1-3-4-11-22-31(28,29)17-9-10-18-19(12-17)25-21(24-18)30-13-20(27)23-16-7-5-15(6-8-16)14(2)26/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyMHGODBCDRWWTND-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.57
Rot. Bonds10

About N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide

N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide (PubChem CID 2388067) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
PubChem CID2388067
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC NameN-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C21H24N4O4S2/c1-3-4-11-22-31(28,29)17-9-10-18-19(12-17)25-21(24-18)30-13-20(27)23-16-7-5-15(6-8-16)14(2)26/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyMHGODBCDRWWTND-UHFFFAOYSA-N
XLogP3.57
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-hydroxyethylsulfamoyl)phenyl]acetamide
CID 18838038
N-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3H-benzimidazole-5-sulfonamide
CID 2461509
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324816
N-butyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide
CID 2088087
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2618184
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
N-butyl-2-methylsulfonyl-3H-benzimidazole-5-sulfonamide
CID 123698941
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 17138634
N-(3-acetylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1205153
N-butyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide
CID 2108766
propan-2-yl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 19061687

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide (CID 2388067) is N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide is CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)[nH]c2c1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide?
The InChIKey is MHGODBCDRWWTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-3-4-11-22-31(28,29)17-9-10-18-19(12-17)25-21(24-18)30-13-20(27)23-16-7-5-15(6-8-16)14(2)26/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide has a molecular weight of 460.58 g/mol, XLogP of 3.57, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2388067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).