2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide

C13H16BrNO2S — CID 83202861

IUPAC2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide
SMILESO=C(CSc1ccc(Br)cc1)NOC1CCCC1
InChIInChI=1S/C13H16BrNO2S/c14-10-5-7-12(8-6-10)18-9-13(16)15-17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyBPQBJWYDOREWQO-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide

2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide (PubChem CID 83202861) has the molecular formula C13H16BrNO2S and a molecular weight of 330.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide
PubChem CID83202861
Molecular FormulaC13H16BrNO2S
Molecular Weight330.25 g/mol
Exact Mass329.01
IUPAC Name2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide
SMILESO=C(CSc1ccc(Br)cc1)NOC1CCCC1
InChIInChI=1S/C13H16BrNO2S/c14-10-5-7-12(8-6-10)18-9-13(16)15-17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyBPQBJWYDOREWQO-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
CID 83201947
N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide
CID 83202111
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
2-(4-bromophenyl)sulfanyl-N-(4-cyclopentylsulfonylphenyl)acetamide
CID 39178437
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentyloxyacetamide
CID 83202439
2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 55410424
N-cyclopentyloxy-2-phenylacetamide
CID 83202949
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate
CID 55326912
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
methyl (2S)-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 9277750
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
ethane;methyl 2-(4-bromophenyl)sulfanylacetate
CID 143770591

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide (CID 83202861) is 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide is O=C(CSc1ccc(Br)cc1)NOC1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide?
The InChIKey is BPQBJWYDOREWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2S/c14-10-5-7-12(8-6-10)18-9-13(16)15-17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide?
2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide has a molecular weight of 330.25 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide is sourced from PubChem (CID 83202861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).