2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide

C15H19BrN4O3S — CID 55963554

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1ccnc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O3S/c1-12(9-20-8-7-17-11-20)18-15(21)10-19(2)24(22,23)14-5-3-13(16)4-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)
InChIKeyUMFJVIVCFQRMAM-UHFFFAOYSA-N
MW415.31 g/mol
LogP1.47
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide (PubChem CID 55963554) has the molecular formula C15H19BrN4O3S and a molecular weight of 415.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
PubChem CID55963554
Molecular FormulaC15H19BrN4O3S
Molecular Weight415.31 g/mol
Exact Mass414.04
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1ccnc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O3S/c1-12(9-20-8-7-17-11-20)18-15(21)10-19(2)24(22,23)14-5-3-13(16)4-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)
InChIKeyUMFJVIVCFQRMAM-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
N-(3-imidazol-1-ylpropyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100515201
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoic acid
CID 119223647
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide (CID 55963554) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide is CC(Cn1ccnc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The InChIKey is UMFJVIVCFQRMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O3S/c1-12(9-20-8-7-17-11-20)18-15(21)10-19(2)24(22,23)14-5-3-13(16)4-6-14/h3-8,11-12H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide has a molecular weight of 415.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(1-imidazol-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 55963554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).