2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide

C22H35N5O4S2 — CID 24658023

IUPAC2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCCCCn1c(SCC(=O)NC(=O)NCC(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C22H35N5O4S2/c1-6-9-12-27-19-11-10-17(33(30,31)26(7-2)8-3)13-18(19)24-22(27)32-15-20(28)25-21(29)23-14-16(4)5/h10-11,13,16H,6-9,12,14-15H2,1-5H3,(H2,23,25,28,29)
InChIKeySCOPOMXZAKTAFG-UHFFFAOYSA-N
MW497.69 g/mol
LogP3.44
Rot. Bonds12

About 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide

2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 24658023) has the molecular formula C22H35N5O4S2 and a molecular weight of 497.69 g/mol. Its IUPAC name is 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID24658023
Molecular FormulaC22H35N5O4S2
Molecular Weight497.69 g/mol
Exact Mass497.21
IUPAC Name2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCCCCn1c(SCC(=O)NC(=O)NCC(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C22H35N5O4S2/c1-6-9-12-27-19-11-10-17(33(30,31)26(7-2)8-3)13-18(19)24-22(27)32-15-20(28)25-21(29)23-14-16(4)5/h10-11,13,16H,6-9,12,14-15H2,1-5H3,(H2,23,25,28,29)
InChIKeySCOPOMXZAKTAFG-UHFFFAOYSA-N
XLogP3.44
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.69
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)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

N-[(2R)-butan-2-yl]-2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanylacetamide
CID 29180122
2-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 41317992
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 4816472
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 26502134
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 40589321
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7839697
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 47046616
2-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 42374829
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-methylpropyl)propanamide
CID 51159076
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809907
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4798928

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide (CID 24658023) is 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide is CCCCn1c(SCC(=O)NC(=O)NCC(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is SCOPOMXZAKTAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4S2/c1-6-9-12-27-19-11-10-17(33(30,31)26(7-2)8-3)13-18(19)24-22(27)32-15-20(28)25-21(29)23-14-16(4)5/h10-11,13,16H,6-9,12,14-15H2,1-5H3,(H2,23,25,28,29).
What are the key properties of 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 497.69 g/mol, XLogP of 3.44, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(diethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 24658023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).