2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide

C14H19N3O3S — CID 7225581

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H19N3O3S/c1-9(7-19-2)15-13(18)8-21-14-16-11-5-4-10(20-3)6-12(11)17-14/h4-6,9H,7-8H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyWQCKLEUHGIBYAR-SECBINFHSA-N
MW309.39 g/mol
LogP1.81
Rot. Bonds7

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 7225581) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID7225581
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C14H19N3O3S/c1-9(7-19-2)15-13(18)8-21-14-16-11-5-4-10(20-3)6-12(11)17-14/h4-6,9H,7-8H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyWQCKLEUHGIBYAR-SECBINFHSA-N
XLogP1.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide with MolForge

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78797335
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 41023729
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
N-cyclopentyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 950856
N-[(1R)-1-(1-adamantyl)propyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 124841976
dimethyl 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 18078072
N-(2,6-difluorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2081440
methyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate
CID 40682067
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 7225581) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)CSc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is WQCKLEUHGIBYAR-SECBINFHSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(7-19-2)15-13(18)8-21-14-16-11-5-4-10(20-3)6-12(11)17-14/h4-6,9H,7-8H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 309.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 7225581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).