2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C17H16N4O2S2 — CID 35040276

IUPAC2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)NC(=O)NCc1cccs1
InChIInChI=1S/C17H16N4O2S2/c22-15(21-16(23)18-9-13-7-4-8-24-13)11-25-17-19-10-14(20-17)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,20)(H2,18,21,22,23)
InChIKeyTZROQFOTXZIBND-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.26
Rot. Bonds6

About 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 35040276) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID35040276
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)NC(=O)NCc1cccs1
InChIInChI=1S/C17H16N4O2S2/c22-15(21-16(23)18-9-13-7-4-8-24-13)11-25-17-19-10-14(20-17)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,20)(H2,18,21,22,23)
InChIKeyTZROQFOTXZIBND-UHFFFAOYSA-N
XLogP3.26
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34789445
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9478119
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35039860
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40755966
2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122136491
N-butan-2-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944884
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
2-methyl-1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259956
N-(thiophen-2-ylmethylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34787943

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 35040276) is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(CSc1ncc(-c2ccccc2)[nH]1)NC(=O)NCc1cccs1.
What is the InChIKey of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is TZROQFOTXZIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c22-15(21-16(23)18-9-13-7-4-8-24-13)11-25-17-19-10-14(20-17)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,20)(H2,18,21,22,23).
What are the key properties of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 372.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 35040276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).