N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide

C23H25N3O2S — CID 33290464

IUPACN-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1
InChIInChI=1S/C23H25N3O2S/c1-16-4-9-21(17(2)14-16)26-13-12-25-23(26)29-15-22(28)20-7-5-19(6-8-20)10-11-24-18(3)27/h4-9,12-14H,10-11,15H2,1-3H3,(H,24,27)
InChIKeyDUBZWWXTAJKFDW-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.14
Rot. Bonds8

About N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide

N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide (PubChem CID 33290464) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide
PubChem CID33290464
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1
InChIInChI=1S/C23H25N3O2S/c1-16-4-9-21(17(2)14-16)26-13-12-25-23(26)29-15-22(28)20-7-5-19(6-8-20)10-11-24-18(3)27/h4-9,12-14H,10-11,15H2,1-3H3,(H,24,27)
InChIKeyDUBZWWXTAJKFDW-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33299321
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870886
N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 38906488
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18287729
N-(5-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870894
N-[4-[2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide
CID 40583585
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24597794
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7870852
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 18131158
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30526445
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide (CID 33290464) is N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide?
The InChIKey is DUBZWWXTAJKFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16-4-9-21(17(2)14-16)26-13-12-25-23(26)29-15-22(28)20-7-5-19(6-8-20)10-11-24-18(3)27/h4-9,12-14H,10-11,15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 33290464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).