N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide

C22H24N4O2S — CID 55428428

IUPACN-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CSc2nccn2-c2ccccc2C)cc1
InChIInChI=1S/C22H24N4O2S/c1-16-6-4-5-7-19(16)26-13-12-24-22(26)29-15-20(27)25(3)14-17-8-10-18(11-9-17)21(28)23-2/h4-13H,14-15H2,1-3H3,(H,23,28)
InChIKeyPQYKTIIKECYUPQ-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.29
Rot. Bonds7

About N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide (PubChem CID 55428428) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide
PubChem CID55428428
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CSc2nccn2-c2ccccc2C)cc1
InChIInChI=1S/C22H24N4O2S/c1-16-6-4-5-7-19(16)26-13-12-24-22(26)29-15-20(27)25(3)14-17-8-10-18(11-9-17)21(28)23-2/h4-13H,14-15H2,1-3H3,(H,23,28)
InChIKeyPQYKTIIKECYUPQ-UHFFFAOYSA-N
XLogP3.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 39757176
1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33299321
N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 38748417
4-[[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 46436447
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide
CID 24596146
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methylacetamide
CID 42023930
N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577219
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-oxopiperidin-1-yl)acetamide
CID 91642102
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide (CID 55428428) is N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)CSc2nccn2-c2ccccc2C)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide?
The InChIKey is PQYKTIIKECYUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-6-4-5-7-19(16)26-13-12-24-22(26)29-15-20(27)25(3)14-17-8-10-18(11-9-17)21(28)23-2/h4-13H,14-15H2,1-3H3,(H,23,28).
What are the key properties of N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide has a molecular weight of 408.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide is sourced from PubChem (CID 55428428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).