N-(4-phenoxyphenyl)-7-sulfanylheptanamide

C19H23NO2S — CID 11232751

IUPACN-(4-phenoxyphenyl)-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c21-19(10-6-1-2-7-15-23)20-16-11-13-18(14-12-16)22-17-8-4-3-5-9-17/h3-5,8-9,11-14,23H,1-2,6-7,10,15H2,(H,20,21)
InChIKeyGJSDPADSGRQDAM-UHFFFAOYSA-N
MW329.47 g/mol
LogP5.30
Rot. Bonds9

About N-(4-phenoxyphenyl)-7-sulfanylheptanamide

N-(4-phenoxyphenyl)-7-sulfanylheptanamide (PubChem CID 11232751) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-7-sulfanylheptanamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-7-sulfanylheptanamide
PubChem CID11232751
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-(4-phenoxyphenyl)-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c21-19(10-6-1-2-7-15-23)20-16-11-13-18(14-12-16)22-17-8-4-3-5-9-17/h3-5,8-9,11-14,23H,1-2,6-7,10,15H2,(H,20,21)
InChIKeyGJSDPADSGRQDAM-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-7-sulfanylheptanamide?
The IUPAC name of N-(4-phenoxyphenyl)-7-sulfanylheptanamide (CID 11232751) is N-(4-phenoxyphenyl)-7-sulfanylheptanamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-7-sulfanylheptanamide?
The canonical SMILES for N-(4-phenoxyphenyl)-7-sulfanylheptanamide is O=C(CCCCCCS)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-7-sulfanylheptanamide?
The InChIKey is GJSDPADSGRQDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c21-19(10-6-1-2-7-15-23)20-16-11-13-18(14-12-16)22-17-8-4-3-5-9-17/h3-5,8-9,11-14,23H,1-2,6-7,10,15H2,(H,20,21).
What are the key properties of N-(4-phenoxyphenyl)-7-sulfanylheptanamide?
N-(4-phenoxyphenyl)-7-sulfanylheptanamide has a molecular weight of 329.47 g/mol, XLogP of 5.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-7-sulfanylheptanamide is sourced from PubChem (CID 11232751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).