N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C17H21N3OS — CID 51183728

IUPACN-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C(=O)CSc1nccn1C)C1CCCc2ccccc21
InChIInChI=1S/C17H21N3OS/c1-19-11-10-18-17(19)22-12-16(21)20(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10-11,15H,5,7,9,12H2,1-2H3
InChIKeySPOCDQMASPQVRG-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.05
Rot. Bonds4

About N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 51183728) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID51183728
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCN(C(=O)CSc1nccn1C)C1CCCc2ccccc21
InChIInChI=1S/C17H21N3OS/c1-19-11-10-18-17(19)22-12-16(21)20(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10-11,15H,5,7,9,12H2,1-2H3
InChIKeySPOCDQMASPQVRG-UHFFFAOYSA-N
XLogP3.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
CID 747727
N-benzyl-2-[(1-benzyl-1H-imidazol-2-yl)thio]acetamide
CID 749672
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494
2-[(1-methyl-1H-imidazol-2-yl)thio]-N-2-naphthylacetamide
CID 801282
2-(1-Methyl-5-phenylimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 864219
2-[(1-benzyl-1H-imidazol-2-yl)thio]-N-butylacetamide
CID 2849681
2-[(1-benzyl-1H-imidazol-2-yl)thio]-N-hexylacetamide
CID 2852104
2-(1-methylimidazol-2-ylthio)-N-naphthylbutanamide
CID 3132099
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 4140078
2-((1-(2,3-dimethylphenyl)-1H-imidazol-2-yl)thio)-N-(naphthalen-1-yl)acetamide
CID 4179539
2-{[1-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
CID 5190525
N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 6472735

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 51183728) is N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CN(C(=O)CSc1nccn1C)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is SPOCDQMASPQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-19-11-10-18-17(19)22-12-16(21)20(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10-11,15H,5,7,9,12H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 51183728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).