2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide

C22H18N2O2S — CID 18075869

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
SMILESCC(Sc1nc2ccccc2o1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O2S/c1-15(27-22-24-19-13-7-8-14-20(19)26-22)21(25)23-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,25)
InChIKeyPKLFIPXJQJIPOY-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.61
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide (PubChem CID 18075869) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
PubChem CID18075869
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
SMILESCC(Sc1nc2ccccc2o1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O2S/c1-15(27-22-24-19-13-7-8-14-20(19)26-22)21(25)23-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,25)
InChIKeyPKLFIPXJQJIPOY-UHFFFAOYSA-N
XLogP5.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide
CID 7464840
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 40810410
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7756270
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-iodophenyl)propanamide
CID 23914569
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropanamide
CID 9414816
(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7556769
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
CID 26733168
(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7420206
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-cyanophenyl)propanamide
CID 7464873
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-difluorophenyl)propanamide
CID 46619454

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide (CID 18075869) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide is CC(Sc1nc2ccccc2o1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide?
The InChIKey is PKLFIPXJQJIPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15(27-22-24-19-13-7-8-14-20(19)26-22)21(25)23-18-12-6-5-11-17(18)16-9-3-2-4-10-16/h2-15H,1H3,(H,23,25).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide has a molecular weight of 374.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 18075869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).