2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C19H21N3OS2 — CID 40669987

IUPAC2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C19H21N3OS2/c1-14-8-15(2)10-17(9-14)22-6-5-20-19(22)25-13-18(23)21(3)11-16-4-7-24-12-16/h4-10,12H,11,13H2,1-3H3
InChIKeyRDFDWMIHLFRBGT-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.30
Rot. Bonds6

About 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 40669987) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID40669987
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)N(C)Cc2ccsc2)c1
InChIInChI=1S/C19H21N3OS2/c1-14-8-15(2)10-17(9-14)22-6-5-20-19(22)25-13-18(23)21(3)11-16-4-7-24-12-16/h4-10,12H,11,13H2,1-3H3
InChIKeyRDFDWMIHLFRBGT-UHFFFAOYSA-N
XLogP4.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 40669987) is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide is Cc1cc(C)cc(-n2ccnc2SCC(=O)N(C)Cc2ccsc2)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is RDFDWMIHLFRBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-14-8-15(2)10-17(9-14)22-6-5-20-19(22)25-13-18(23)21(3)11-16-4-7-24-12-16/h4-10,12H,11,13H2,1-3H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 40669987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).