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

C13H16N4O3S — CID 6620305

IUPACN-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C13H16N4O3S/c1-17(21(19,20)13-8-14-10-16-13)9-12(18)15-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,14,16)(H,15,18)
InChIKeyBIWHCPPGUAVNCI-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.35
Rot. Bonds6

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

N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (PubChem CID 6620305) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
PubChem CID6620305
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C13H16N4O3S/c1-17(21(19,20)13-8-14-10-16-13)9-12(18)15-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,14,16)(H,15,18)
InChIKeyBIWHCPPGUAVNCI-UHFFFAOYSA-N
XLogP0.35
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (CID 6620305) is N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is BIWHCPPGUAVNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-17(21(19,20)13-8-14-10-16-13)9-12(18)15-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,14,16)(H,15,18).
What are the key properties of N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 308.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 6620305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).