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

C13H16BrNOS — CID 2351741

IUPAC2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C13H16BrNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyUIDVVTXJVZDLHU-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.60
Rot. Bonds4

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

2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide (PubChem CID 2351741) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide
PubChem CID2351741
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1ccc(Br)cc1)NC1CCCC1
InChIInChI=1S/C13H16BrNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyUIDVVTXJVZDLHU-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
CID 4576617
2-(4-Bromo-phenylsulfanyl)-4-methyl-pentanoic acid cyanomethyl-amide
CID 22236170
N-cyclopentyl-3-phenylthiopropanamide
CID 875577
2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide
CID 2340213
3-(4-bromophenyl)sulfonyl-N-cycloheptylpropanamide
CID 3261893
2-(4-bromophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4297705
N-cyclohexyl-2-(phenylsulfanyl)acetamide
CID 875390
N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 4640800
2-([(4-Bromophenyl)sulfanyl]methyl)piperidine
CID 13058743
4-Bromophenyl2-oxo-2-(1-piperidinyl)ethylsulfide
CID 900695
2-(4-bromophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 2341548
2-[(4-Bromophenyl)thio]-N-(3-phenylpropyl)acetamide
CID 2380812

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide (CID 2351741) is 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide is O=C(CSc1ccc(Br)cc1)NC1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide?
The InChIKey is UIDVVTXJVZDLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c14-10-5-7-12(8-6-10)17-9-13(16)15-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide?
2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide has a molecular weight of 314.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 2351741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).