N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C21H23N3OS — CID 4176693

IUPACN-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C21H23N3OS/c1-14-5-6-19(17(4)10-14)23-20(25)13-26-21-22-7-8-24(21)18-11-15(2)9-16(3)12-18/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyYAUNRQPKNIJGPB-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.84
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4176693) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4176693
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C21H23N3OS/c1-14-5-6-19(17(4)10-14)23-20(25)13-26-21-22-7-8-24(21)18-11-15(2)9-16(3)12-18/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyYAUNRQPKNIJGPB-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 4176693) is N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is YAUNRQPKNIJGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14-5-6-19(17(4)10-14)23-20(25)13-26-21-22-7-8-24(21)18-11-15(2)9-16(3)12-18/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 365.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4176693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).