2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide

C21H23N3OS — CID 55391479

IUPAC2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCc1cc(C)cc(-n2ccnc2SC(C(=O)N(C)C)c2ccccc2)c1
InChIInChI=1S/C21H23N3OS/c1-15-12-16(2)14-18(13-15)24-11-10-22-21(24)26-19(20(25)23(3)4)17-8-6-5-7-9-17/h5-14,19H,1-4H3
InChIKeySPJWBFFACJXHNC-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.41
Rot. Bonds5

About 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide (PubChem CID 55391479) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
PubChem CID55391479
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCc1cc(C)cc(-n2ccnc2SC(C(=O)N(C)C)c2ccccc2)c1
InChIInChI=1S/C21H23N3OS/c1-15-12-16(2)14-18(13-15)24-11-10-22-21(24)26-19(20(25)23(3)4)17-8-6-5-7-9-17/h5-14,19H,1-4H3
InChIKeySPJWBFFACJXHNC-UHFFFAOYSA-N
XLogP4.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
CID 40654380
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 51488308
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
CID 33298165
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755
(2R)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40659791
N-cyclopropyl-2-phenyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 42944870
N,N-dimethyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 17429139
N-(cyanomethyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 40664275
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N,2-diphenylacetamide
CID 18285524
(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 41434180

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide (CID 55391479) is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide is Cc1cc(C)cc(-n2ccnc2SC(C(=O)N(C)C)c2ccccc2)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide?
The InChIKey is SPJWBFFACJXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-12-16(2)14-18(13-15)24-11-10-22-21(24)26-19(20(25)23(3)4)17-8-6-5-7-9-17/h5-14,19H,1-4H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide?
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide has a molecular weight of 365.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 55391479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).