3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide

C16H15BrN4O2S — CID 166327313

IUPAC3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1n[nH]c2ccc(Br)cc12)c1cccs1
InChIInChI=1S/C16H15BrN4O2S/c1-9(22)18-13(14-3-2-6-24-14)8-15(23)19-16-11-7-10(17)4-5-12(11)20-21-16/h2-7,13H,8H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeySLQWNMFXBQXXHQ-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.59
Rot. Bonds5

About 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide (PubChem CID 166327313) has the molecular formula C16H15BrN4O2S and a molecular weight of 407.29 g/mol. Its IUPAC name is 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide
PubChem CID166327313
Molecular FormulaC16H15BrN4O2S
Molecular Weight407.29 g/mol
Exact Mass406.01
IUPAC Name3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1n[nH]c2ccc(Br)cc12)c1cccs1
InChIInChI=1S/C16H15BrN4O2S/c1-9(22)18-13(14-3-2-6-24-14)8-15(23)19-16-11-7-10(17)4-5-12(11)20-21-16/h2-7,13H,8H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeySLQWNMFXBQXXHQ-UHFFFAOYSA-N
XLogP3.59
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 55499971
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 115629975
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
CID 166329333
(3R)-3-acetamido-N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 41406312
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 43038764
3-acetamido-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55655642

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide (CID 166327313) is 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1n[nH]c2ccc(Br)cc12)c1cccs1.
What is the InChIKey of 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is SLQWNMFXBQXXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2S/c1-9(22)18-13(14-3-2-6-24-14)8-15(23)19-16-11-7-10(17)4-5-12(11)20-21-16/h2-7,13H,8H2,1H3,(H,18,22)(H2,19,20,21,23).
What are the key properties of 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 407.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(5-bromo-1H-indazol-3-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 166327313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).