N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C18H23N3O2S — CID 94582080

IUPACN-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(=O)[C@H](NC(=O)CSc1nccn1-c1ccccc1C)C(C)C
InChIInChI=1S/C18H23N3O2S/c1-12(2)17(14(4)22)20-16(23)11-24-18-19-9-10-21(18)15-8-6-5-7-13(15)3/h5-10,12,17H,11H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyPZRAPCJGCYYUAX-QGZVFWFLSA-N
MW345.47 g/mol
LogP3.00
Rot. Bonds7

About N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 94582080) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID94582080
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(=O)[C@H](NC(=O)CSc1nccn1-c1ccccc1C)C(C)C
InChIInChI=1S/C18H23N3O2S/c1-12(2)17(14(4)22)20-16(23)11-24-18-19-9-10-21(18)15-8-6-5-7-13(15)3/h5-10,12,17H,11H2,1-4H3,(H,20,23)/t17-/m1/s1
InChIKeyPZRAPCJGCYYUAX-QGZVFWFLSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-oxopiperidin-1-yl)acetamide
CID 91642102
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 34715637
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55846055
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55721604
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33299321
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 94582080) is N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is CC(=O)[C@H](NC(=O)CSc1nccn1-c1ccccc1C)C(C)C.
What is the InChIKey of N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is PZRAPCJGCYYUAX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)17(14(4)22)20-16(23)11-24-18-19-9-10-21(18)15-8-6-5-7-13(15)3/h5-10,12,17H,11H2,1-4H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 345.47 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 94582080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).