2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide

C20H24N2O3S — CID 24981197

IUPAC2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCCCSc1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-25-18-11-6-5-10-17(18)20(24)22-14-12-19(23)21-13-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyDKDVPSGWVYBACV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.11
Rot. Bonds10

About 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide

2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide (PubChem CID 24981197) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide
PubChem CID24981197
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCCCSc1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-25-18-11-6-5-10-17(18)20(24)22-14-12-19(23)21-13-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyDKDVPSGWVYBACV-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide (CID 24981197) is 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)NCCCSc1ccccc1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide?
The InChIKey is DKDVPSGWVYBACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-25-18-11-6-5-10-17(18)20(24)22-14-12-19(23)21-13-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide?
2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-(3-phenylsulfanylpropylamino)propyl]benzamide is sourced from PubChem (CID 24981197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).