N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide

C21H21N3O2S — CID 33299222

IUPACN-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccccc2C)cc1
InChIInChI=1S/C21H21N3O2S/c1-3-20(26)23-17-10-8-16(9-11-17)19(25)14-27-21-22-12-13-24(21)18-7-5-4-6-15(18)2/h4-13H,3,14H2,1-2H3,(H,23,26)
InChIKeyYZUGQTOZFWXIPP-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.50
Rot. Bonds7

About N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide

N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide (PubChem CID 33299222) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
PubChem CID33299222
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccccc2C)cc1
InChIInChI=1S/C21H21N3O2S/c1-3-20(26)23-17-10-8-16(9-11-17)19(25)14-27-21-22-12-13-24(21)18-7-5-4-6-15(18)2/h4-13H,3,14H2,1-2H3,(H,23,26)
InChIKeyYZUGQTOZFWXIPP-UHFFFAOYSA-N
XLogP4.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.50
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
N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55846055
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 34549840
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
N-(3-cyanothiophen-2-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17448336
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
CID 33298924
N-[4-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]propanamide
CID 7877856

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide (CID 33299222) is N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccccc2C)cc1.
What is the InChIKey of N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide?
The InChIKey is YZUGQTOZFWXIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-20(26)23-17-10-8-16(9-11-17)19(25)14-27-21-22-12-13-24(21)18-7-5-4-6-15(18)2/h4-13H,3,14H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide?
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide has a molecular weight of 379.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide is sourced from PubChem (CID 33299222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).