2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide

C20H21N3OS — CID 30802029

IUPAC2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)N(C)c2ccccc2)cc1C
InChIInChI=1S/C20H21N3OS/c1-15-9-10-18(13-16(15)2)23-12-11-21-20(23)25-14-19(24)22(3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyNCJMEZWMSDPDRM-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.24
Rot. Bonds5

About 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide (PubChem CID 30802029) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
PubChem CID30802029
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)N(C)c2ccccc2)cc1C
InChIInChI=1S/C20H21N3OS/c1-15-9-10-18(13-16(15)2)23-12-11-21-20(23)25-14-19(24)22(3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
InChIKeyNCJMEZWMSDPDRM-UHFFFAOYSA-N
XLogP4.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
CID 27320070
N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30801985
tert-butyl 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate
CID 134058214
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
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
1-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 33297170
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 46677215
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
N-(cyanomethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 40664275
2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-3-oxobutanenitrile
CID 33297267
1-(3,4-dimethylphenyl)-2-prop-2-enylsulfanylimidazole
CID 134042123

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide (CID 30802029) is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide is Cc1ccc(-n2ccnc2SCC(=O)N(C)c2ccccc2)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide?
The InChIKey is NCJMEZWMSDPDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-15-9-10-18(13-16(15)2)23-12-11-21-20(23)25-14-19(24)22(3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide?
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide has a molecular weight of 351.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide is sourced from PubChem (CID 30802029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).