2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide

C15H20ClNOS — CID 2382797

IUPAC2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide
SMILESO=C(CSc1ccccc1Cl)NC1CCCCCC1
InChIInChI=1S/C15H20ClNOS/c16-13-9-5-6-10-14(13)19-11-15(18)17-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,18)
InChIKeyNCOMDBCNHDHEKG-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.27
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide

2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide (PubChem CID 2382797) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide
PubChem CID2382797
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide
SMILESO=C(CSc1ccccc1Cl)NC1CCCCCC1
InChIInChI=1S/C15H20ClNOS/c16-13-9-5-6-10-14(13)19-11-15(18)17-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,18)
InChIKeyNCOMDBCNHDHEKG-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide (CID 2382797) is 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide is O=C(CSc1ccccc1Cl)NC1CCCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide?
The InChIKey is NCOMDBCNHDHEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-13-9-5-6-10-14(13)19-11-15(18)17-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide?
2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide has a molecular weight of 297.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-cycloheptylacetamide is sourced from PubChem (CID 2382797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).