2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C18H26N4O3S — CID 46606790

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCOc1ccc2nc(SCC(=O)NCC(C)(C)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C18H26N4O3S/c1-18(2,22-6-8-25-9-7-22)12-19-16(23)11-26-17-20-14-5-4-13(24-3)10-15(14)21-17/h4-5,10H,6-9,11-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyVQSCLTDOQSAMRF-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.89
Rot. Bonds7

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 46606790) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID46606790
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCOc1ccc2nc(SCC(=O)NCC(C)(C)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C18H26N4O3S/c1-18(2,22-6-8-25-9-7-22)12-19-16(23)11-26-17-20-14-5-4-13(24-3)10-15(14)21-17/h4-5,10H,6-9,11-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyVQSCLTDOQSAMRF-UHFFFAOYSA-N
XLogP1.89
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)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-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
methyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate
CID 40682067
2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16504539
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8682568
N-[(4-chlorophenyl)methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2610643
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 16592285
ethyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate
CID 18078306
N-cyclopentyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 950856
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1304709
N-(2,6-difluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2081440

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 46606790) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is COc1ccc2nc(SCC(=O)NCC(C)(C)N3CCOCC3)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is VQSCLTDOQSAMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-18(2,22-6-8-25-9-7-22)12-19-16(23)11-26-17-20-14-5-4-13(24-3)10-15(14)21-17/h4-5,10H,6-9,11-12H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 46606790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).