N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide

C25H32N4O2S — CID 34371592

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC(C)(CNC(=O)CSc1nc2ccccc2n1CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C25H32N4O2S/c1-25(2,28-14-16-31-17-15-28)19-26-23(30)18-32-24-27-21-10-6-7-11-22(21)29(24)13-12-20-8-4-3-5-9-20/h3-11H,12-19H2,1-2H3,(H,26,30)
InChIKeyIGOFIRURBKKVNX-UHFFFAOYSA-N
MW452.62 g/mol
LogP3.60
Rot. Bonds9

About N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide

N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 34371592) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID34371592
Molecular FormulaC25H32N4O2S
Molecular Weight452.62 g/mol
Exact Mass452.22
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC(C)(CNC(=O)CSc1nc2ccccc2n1CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C25H32N4O2S/c1-25(2,28-14-16-31-17-15-28)19-26-23(30)18-32-24-27-21-10-6-7-11-22(21)29(24)13-12-20-8-4-3-5-9-20/h3-11H,12-19H2,1-2H3,(H,26,30)
InChIKeyIGOFIRURBKKVNX-UHFFFAOYSA-N
XLogP3.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide 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-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580273
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 34380670
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46668800
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
CID 60519343
N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 4850532
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 34933118
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282785
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46491153
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide (CID 34371592) is N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide is CC(C)(CNC(=O)CSc1nc2ccccc2n1CCc1ccccc1)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is IGOFIRURBKKVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-25(2,28-14-16-31-17-15-28)19-26-23(30)18-32-24-27-21-10-6-7-11-22(21)29(24)13-12-20-8-4-3-5-9-20/h3-11H,12-19H2,1-2H3,(H,26,30).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 452.62 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 34371592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).