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

C14H18N4O3S — CID 12005333

IUPAC2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C14H18N4O3S/c1-18(22(20,21)14-9-15-11-17-14)10-13(19)16-8-7-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,15,17)(H,16,19)
InChIKeyYBEASKBZVWVVSJ-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.39
Rot. Bonds7

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

2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 12005333) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID12005333
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C14H18N4O3S/c1-18(22(20,21)14-9-15-11-17-14)10-13(19)16-8-7-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,15,17)(H,16,19)
InChIKeyYBEASKBZVWVVSJ-UHFFFAOYSA-N
XLogP0.39
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.39
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-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide (CID 12005333) is 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is YBEASKBZVWVVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-18(22(20,21)14-9-15-11-17-14)10-13(19)16-8-7-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide?
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.39, 7 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 12005333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).