2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide

C13H14BrN3OS — CID 112698671

IUPAC2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
SMILESCCc1cn[nH]c1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3OS/c1-2-9-7-15-17-13(9)16-12(18)8-19-11-5-3-10(14)4-6-11/h3-7H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyHVEVQQSTWAFNQB-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide

2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide (PubChem CID 112698671) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
PubChem CID112698671
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
SMILESCCc1cn[nH]c1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3OS/c1-2-9-7-15-17-13(9)16-12(18)8-19-11-5-3-10(14)4-6-11/h3-7H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyHVEVQQSTWAFNQB-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
CID 115680788
3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104617783
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
CID 113251561
2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390377
N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114628039
2-cyclobutyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 103750288
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
N-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 104616614
5-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1-methylpyrazole-3-carboxylic acid
CID 118322164

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide (CID 112698671) is 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide is CCc1cn[nH]c1NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is HVEVQQSTWAFNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-2-9-7-15-17-13(9)16-12(18)8-19-11-5-3-10(14)4-6-11/h3-7H,2,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 340.25 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 112698671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).