3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide

C22H24N4O2S — CID 27320070

IUPAC3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
SMILESCc1ccc(-n2ccnc2SCC(=O)N(CCC(N)=O)c2ccccc2)cc1C
InChIInChI=1S/C22H24N4O2S/c1-16-8-9-19(14-17(16)2)26-13-11-24-22(26)29-15-21(28)25(12-10-20(23)27)18-6-4-3-5-7-18/h3-9,11,13-14H,10,12,15H2,1-2H3,(H2,23,27)
InChIKeyUAIASGFJBNIAKH-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.49
Rot. Bonds8

About 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide

3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide (PubChem CID 27320070) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
PubChem CID27320070
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
SMILESCc1ccc(-n2ccnc2SCC(=O)N(CCC(N)=O)c2ccccc2)cc1C
InChIInChI=1S/C22H24N4O2S/c1-16-8-9-19(14-17(16)2)26-13-11-24-22(26)29-15-21(28)25(12-10-20(23)27)18-6-4-3-5-7-18/h3-9,11,13-14H,10,12,15H2,1-2H3,(H2,23,27)
InChIKeyUAIASGFJBNIAKH-UHFFFAOYSA-N
XLogP3.49
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 30802029
3-(N-[2-(1-methylimidazol-2-yl)sulfanylacetyl]anilino)propanamide
CID 27312364
N-(cyanomethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 40664275
3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide
CID 41472991
3-(N-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
CID 33014659
3-(N-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)propanamide
CID 27320646
N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30801985
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
tert-butyl 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate
CID 134058214
1-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 33297170
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040
N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
CID 18207204

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide (CID 27320070) is 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide is Cc1ccc(-n2ccnc2SCC(=O)N(CCC(N)=O)c2ccccc2)cc1C.
What is the InChIKey of 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide?
The InChIKey is UAIASGFJBNIAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-8-9-19(14-17(16)2)26-13-11-24-22(26)29-15-21(28)25(12-10-20(23)27)18-6-4-3-5-7-18/h3-9,11,13-14H,10,12,15H2,1-2H3,(H2,23,27).
What are the key properties of 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide?
3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide has a molecular weight of 408.53 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide is sourced from PubChem (CID 27320070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).