N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide

C16H19BrN4O4S — CID 20949815

IUPACN-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)ccc1Br
InChIInChI=1S/C16H19BrN4O4S/c1-12-8-13(2-3-14(12)17)19-15(22)9-20-10-16(18-11-20)26(23,24)21-4-6-25-7-5-21/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,22)
InChIKeyDOORIFDTFHBDHO-UHFFFAOYSA-N
MW443.32 g/mol
LogP1.61
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide

N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20949815) has the molecular formula C16H19BrN4O4S and a molecular weight of 443.32 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20949815
Molecular FormulaC16H19BrN4O4S
Molecular Weight443.32 g/mol
Exact Mass442.03
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)ccc1Br
InChIInChI=1S/C16H19BrN4O4S/c1-12-8-13(2-3-14(12)17)19-15(22)9-20-10-16(18-11-20)26(23,24)21-4-6-25-7-5-21/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,22)
InChIKeyDOORIFDTFHBDHO-UHFFFAOYSA-N
XLogP1.61
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949786
N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949569
2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 20949736
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947133
N-benzyl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949850
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone
CID 20949851
N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949616
N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 46341352
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(4-fluoro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949705

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (CID 20949815) is N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is Cc1cc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is DOORIFDTFHBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O4S/c1-12-8-13(2-3-14(12)17)19-15(22)9-20-10-16(18-11-20)26(23,24)21-4-6-25-7-5-21/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 443.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20949815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).