N-(5-chloro-2-phenylsulfanylphenyl)butanamide

C16H16ClNOS — CID 11507784

IUPACN-(5-chloro-2-phenylsulfanylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)
InChIKeyXBVVQFDKYKYIDI-UHFFFAOYSA-N
MW305.83 g/mol
LogP5.23
Rot. Bonds5

About N-(5-chloro-2-phenylsulfanylphenyl)butanamide

N-(5-chloro-2-phenylsulfanylphenyl)butanamide (PubChem CID 11507784) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(5-chloro-2-phenylsulfanylphenyl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenylsulfanylphenyl)butanamide
PubChem CID11507784
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-(5-chloro-2-phenylsulfanylphenyl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
InChIInChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)
InChIKeyXBVVQFDKYKYIDI-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.83
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)butanamide?
The IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)butanamide (CID 11507784) is N-(5-chloro-2-phenylsulfanylphenyl)butanamide.
What is the SMILES notation for N-(5-chloro-2-phenylsulfanylphenyl)butanamide?
The canonical SMILES for N-(5-chloro-2-phenylsulfanylphenyl)butanamide is CCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenylsulfanylphenyl)butanamide?
The InChIKey is XBVVQFDKYKYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-phenylsulfanylphenyl)butanamide?
N-(5-chloro-2-phenylsulfanylphenyl)butanamide has a molecular weight of 305.83 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenylsulfanylphenyl)butanamide is sourced from PubChem (CID 11507784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).