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

C15H20BrNOS — CID 2340213

IUPAC2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide
SMILESO=C(CSc1ccc(Br)cc1)NC1CCCCCC1
InChIInChI=1S/C15H20BrNOS/c16-12-7-9-14(10-8-12)19-11-15(18)17-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18)
InChIKeyMHPRVMQRMHVXEG-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.38
Rot. Bonds4

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

2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide (PubChem CID 2340213) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide
PubChem CID2340213
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC Name2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide
SMILESO=C(CSc1ccc(Br)cc1)NC1CCCCCC1
InChIInChI=1S/C15H20BrNOS/c16-12-7-9-14(10-8-12)19-11-15(18)17-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18)
InChIKeyMHPRVMQRMHVXEG-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide (CID 2340213) is 2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide is O=C(CSc1ccc(Br)cc1)NC1CCCCCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide?
The InChIKey is MHPRVMQRMHVXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c16-12-7-9-14(10-8-12)19-11-15(18)17-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide?
2-(4-bromophenyl)sulfanyl-N-cycloheptylacetamide has a molecular weight of 342.30 g/mol, XLogP of 4.38, 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-cycloheptylacetamide is sourced from PubChem (CID 2340213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).