N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide

C22H20N2O2S — CID 17154606

IUPACN-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H20N2O2S/c25-21(15-16-23-22(26)17-9-3-1-4-10-17)24-19-13-7-8-14-20(19)27-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,26)(H,24,25)
InChIKeyNDUXOAGDVFOCNU-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.60
Rot. Bonds7

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

N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide (PubChem CID 17154606) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
PubChem CID17154606
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H20N2O2S/c25-21(15-16-23-22(26)17-9-3-1-4-10-17)24-19-13-7-8-14-20(19)27-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,26)(H,24,25)
InChIKeyNDUXOAGDVFOCNU-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
N-[3-(2-nitroanilino)-3-oxopropyl]benzamide
CID 62707198
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide
CID 2568324
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide?
The IUPAC name of N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide (CID 17154606) is N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide is O=C(CCNC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide?
The InChIKey is NDUXOAGDVFOCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-21(15-16-23-22(26)17-9-3-1-4-10-17)24-19-13-7-8-14-20(19)27-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,26)(H,24,25).
What are the key properties of N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide?
N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide is sourced from PubChem (CID 17154606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).