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

C13H16N4O3S — CID 3238708

IUPAC2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C13H16N4O3S/c1-10-4-3-5-11(6-10)16-12(18)8-17(2)21(19,20)13-7-14-9-15-13/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyGWLBBRRGBHUZDS-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.98
Rot. Bonds5

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

2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 3238708) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
PubChem CID3238708
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
InChIInChI=1S/C13H16N4O3S/c1-10-4-3-5-11(6-10)16-12(18)8-17(2)21(19,20)13-7-14-9-15-13/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyGWLBBRRGBHUZDS-UHFFFAOYSA-N
XLogP0.98
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide (CID 3238708) is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide is Cc1cccc(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-methylphenyl)acetamide?
The InChIKey is GWLBBRRGBHUZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-10-4-3-5-11(6-10)16-12(18)8-17(2)21(19,20)13-7-14-9-15-13/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-methylphenyl)acetamide?
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 308.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3238708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).