N-(4-phenylphenyl)-7-sulfanylheptanamide

C19H23NOS — CID 11220728

IUPACN-(4-phenylphenyl)-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NOS/c21-19(10-6-1-2-7-15-22)20-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,22H,1-2,6-7,10,15H2,(H,20,21)
InChIKeyQTXIBRBGYJCFEU-UHFFFAOYSA-N
MW313.47 g/mol
LogP5.17
Rot. Bonds8

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

N-(4-phenylphenyl)-7-sulfanylheptanamide (PubChem CID 11220728) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(4-phenylphenyl)-7-sulfanylheptanamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-7-sulfanylheptanamide
PubChem CID11220728
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(4-phenylphenyl)-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NOS/c21-19(10-6-1-2-7-15-22)20-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,22H,1-2,6-7,10,15H2,(H,20,21)
InChIKeyQTXIBRBGYJCFEU-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-phenylphenyl)-7-sulfanylheptanamide?
The IUPAC name of N-(4-phenylphenyl)-7-sulfanylheptanamide (CID 11220728) is N-(4-phenylphenyl)-7-sulfanylheptanamide.
What is the SMILES notation for N-(4-phenylphenyl)-7-sulfanylheptanamide?
The canonical SMILES for N-(4-phenylphenyl)-7-sulfanylheptanamide is O=C(CCCCCCS)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-7-sulfanylheptanamide?
The InChIKey is QTXIBRBGYJCFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c21-19(10-6-1-2-7-15-22)20-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,22H,1-2,6-7,10,15H2,(H,20,21).
What are the key properties of N-(4-phenylphenyl)-7-sulfanylheptanamide?
N-(4-phenylphenyl)-7-sulfanylheptanamide has a molecular weight of 313.47 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-7-sulfanylheptanamide is sourced from PubChem (CID 11220728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).