2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide

C13H16N4O3S2 — CID 6623244

IUPAC2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C13H16N4O3S2/c1-17(22(19,20)13-7-14-9-15-13)8-12(18)16-10-4-3-5-11(6-10)21-2/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyCOSNZHBZDOKNPX-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.39
Rot. Bonds6

About 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide

2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 6623244) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID6623244
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C13H16N4O3S2/c1-17(22(19,20)13-7-14-9-15-13)8-12(18)16-10-4-3-5-11(6-10)21-2/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyCOSNZHBZDOKNPX-UHFFFAOYSA-N
XLogP1.39
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide (CID 6623244) is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1.
What is the InChIKey of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is COSNZHBZDOKNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-17(22(19,20)13-7-14-9-15-13)8-12(18)16-10-4-3-5-11(6-10)21-2/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide?
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 6623244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).